Bay-1238097
(4S)-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
Molecular Identity
Bay-1238097
(4S)-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
PubChem CID: 118237331
2D Structure
Properties
C25H33N5O3
Molecular Formula
451.60
Molecular Weight
g/mol
451.2583
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
69.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
688
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2=CC(=C(C=C2C(=NN1C(=O)NC)C3=CC=C(C=C3)N4CCN(CC4)C)OC)OCIsomeric SMILES
SMILES: C[C@H]1CC2=CC(=C(C=C2C(=NN1C(=O)NC)C3=CC=C(C=C3)N4CCN(CC4)C)OC)OCSynonyms(20)
BAY12380971564268-08-1M9ALI41OQRBAY-1238097(4S)-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamideBAY 1238097(4S)-7,8-Dimethoxy-N,4-dimethyl-1-(4-(4-methylpiperazin-1-yl) phenyl)-4,5-dihydro-3H-2,3-benzodiazepine-3-carboxamide(4S)-7,8-dimethoxy-N,4-dimethyl-1-(4-(4-methylpiperazin-1-yl)phenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxamideRefChem:916759BET Inhibitor BAY1238097UNII-M9ALI41OQRCHEMBL4077154(S)-7,8-dimethoxy-N,4-dimethyl-1-(4-(4-methylpiperazin-1-yl)phenyl)-4,5-dihydro-3H-benzo[d][1,2]diazepine-3-carboxamideC25H33N5O3GTPL9119
Data from PubChem (NCBI)
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