Molecules/5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid
5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid
5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid
Molecular Identity
5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid
5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid
PubChem CID: 172991801
2D Structure
Properties
C35H40F2N8O4
Molecular Formula
674.70
Molecular Weight
g/mol
674.3141
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
13
H-Bond Acceptors
1140
Complexity
SMILES
Canonical SMILES
SMILES: C=CC(=O)NC1=C(C=C(C(=C1)NC2=CC(=NC=N2)N3C(CCO3)C4=CC(=CC(=C4)F)F)C(=O)O)N5CCC(CC5)N6CCN(CC6)C7CC7Isomeric SMILES
SMILES: C=CC(=O)NC1=C(C=C(C(=C1)NC2=CC(=NC=N2)N3[C@H](CCO3)C4=CC(=CC(=C4)F)F)C(=O)O)N5CCC(CC5)N6CCN(CC6)C7CC7Synonyms(5)
ORIC-114ORIC114GTPL13880EX-A124715-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid
Data from PubChem (NCBI)
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Molecular Structure
5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid
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Drug Network
Trials and conditions connected to 5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid
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