Bms-587101
5-[[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]methyl]thiophene-3-carboxylic acid
Molecular Identity
Bms-587101
5-[[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]methyl]thiophene-3-carboxylic acid
PubChem CID: 11635371
2D Structure
Properties
C26H20Cl2N4O4S
Molecular Formula
555.40
Molecular Weight
g/mol
554.0582
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
133
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
975
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=O)N(C(=O)C12CN(CC2C3=CC=C(C=C3)C#N)CC4=CC(=CS4)C(=O)O)C5=CC(=CC(=C5)Cl)ClIsomeric SMILES
SMILES: CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2C3=CC=C(C=C3)C#N)CC4=CC(=CS4)C(=O)O)C5=CC(=CC(=C5)Cl)ClSynonyms(20)
BMS-587101509083-77-65V7E4UQL93BMS587101RefChem:120730BMS 587101UNII-5V7E4UQL93CHEMBL2145295-[(5s,9r)-9-(4-Cyanophenyl)-3-(3,5-Dichlorophenyl)-1-Methyl-2,4-Dioxo-1,3,7-Triazaspiro [4.4]non-7-Yl]methyl]-3-Thiophenecarboxylicacid5-[[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]methyl]thiophene-3-carboxylic acid2ica5-(((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl)thiophene-3-carboxylic acid509080-74-4orb1698076SCHEMBL3838184
Data from PubChem (NCBI)
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Drug Network
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