Molecules/3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-[1-[1-[(2Z)-2-[[4-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-(2-carboxyethyl)-5-[[(5Z)-5-ethylidene-4-(1-hydroxyethyl)-3-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]ethoxy]ethyl]-5-[[(5Z)-5-ethylidene-3-(1-hydroxyethyl)-4-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-[1-[1-[(2Z)-2-[[4-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-(2-carboxyethyl)-5-[[(5Z)-5-ethylidene-4-(1-hydroxyethyl)-3-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]ethoxy]ethyl]-5-[[(5Z)-5-ethylidene-3-(1-hydroxyethyl)-4-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-[1-[1-[(2Z)-2-[[4-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-(2-carboxyethyl)-5-[[(5Z)-5-ethylidene-4-(1-hydroxyethyl)-3-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]ethoxy]ethyl]-5-[[(5Z)-5-ethylidene-3-(1-hydroxyethyl)-4-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
Molecular Identity
3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-[1-[1-[(2Z)-2-[[4-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-(2-carboxyethyl)-5-[[(5Z)-5-ethylidene-4-(1-hydroxyethyl)-3-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]ethoxy]ethyl]-5-[[(5Z)-5-ethylidene-3-(1-hydroxyethyl)-4-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-[1-[1-[(2Z)-2-[[4-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-(2-carboxyethyl)-5-[[(5Z)-5-ethylidene-4-(1-hydroxyethyl)-3-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]ethoxy]ethyl]-5-[[(5Z)-5-ethylidene-3-(1-hydroxyethyl)-4-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
PubChem CID: 129627869
2D Structure
Properties
C70H82N8O11
Molecular Formula
1211.40
Molecular Weight
g/mol
1210.6103
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
304
TPSA
May have limited oral absorption
10
H-Bond Donors
17
H-Bond Acceptors
3540
Complexity
SMILES
Canonical SMILES
SMILES: CC=C1C(=C(C(=N1)C=C2C(=C(C(=CC3=C(C(=C(N3)C=C4C(=C(C=N4)C)CCC(=O)O)CCC(=O)O)C)N2)C(C)OC(C)C5=C(C=NC5=CC6=C(C(=C(N6)C=C7C(=C(C(=CC8=NC(=CC)C(=C8C)C(C)O)N7)C)CCC(=O)O)CCC(=O)O)C)C)C)C(C)O)CIsomeric SMILES
SMILES: C/C=C\1/C(=C(C(=N1)/C=C\2/C(=C(/C(=C/C3=C(C(=C(N3)/C=C\4/C(=C(C=N4)C)CCC(=O)O)CCC(=O)O)C)/N2)C(C)OC(C)C\5=C(C=N/C5=C\C6=C(C(=C(N6)/C=C\7/C(=C(/C(=C/C8=N/C(=C\C)/C(=C8C)C(C)O)/N7)C)CCC(=O)O)CCC(=O)O)C)C)C)C(C)O)CSynonyms(1)
Photofrin
Data from PubChem (NCBI)
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Molecular Structure
3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-[1-[1-[(2Z)-2-[[4-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-(2-carboxyethyl)-5-[[(5Z)-5-ethylidene-4-(1-hydroxyethyl)-3-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]ethoxy]ethyl]-5-[[(5Z)-5-ethylidene-3-(1-hydroxyethyl)-4-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
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Drug Network
Trials and conditions connected to 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-[1-[1-[(2Z)-2-[[4-(2-carboxyethyl)-5-[(Z)-[(5Z)-3-(2-carboxyethyl)-5-[[(5Z)-5-ethylidene-4-(1-hydroxyethyl)-3-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]ethoxy]ethyl]-5-[[(5Z)-5-ethylidene-3-(1-hydroxyethyl)-4-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
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