Bta-9881
(2S)-2-(4-chlorophenyl)-3-(pyridine-3-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
Molecular Identity
Bta-9881
(2S)-2-(4-chlorophenyl)-3-(pyridine-3-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
PubChem CID: 70807574
2D Structure
Properties
C21H15ClN4O2
Molecular Formula
390.80
Molecular Weight
g/mol
390.0884
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
66.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
638
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(C2(N1C(=O)C3=C2C=NC=C3)C4=CC=C(C=C4)Cl)C(=O)C5=CN=CC=C5Isomeric SMILES
SMILES: C1CN([C@@]2(N1C(=O)C3=C2C=NC=C3)C4=CC=C(C=C4)Cl)C(=O)C5=CN=CC=C5Synonyms(19)
BTA-98811646857-24-0MEDI-564BTA98819VR1J6U4XGAZD-9639Medi 5645H-Imidazo(1',2':1,2)pyrrolo(3,4-C)pyridin-5-one, 9b-(4-chlorophenyl)-1,2,3,9b-tetrahydro-1-(3-pyridinylcarbonyl)-, (9bS)-RefChem:570440UNII-9VR1J6U4XGorb1700949CHEMBL3393588MEDI 564 [WHO-DD]SCHEMBL12957286AKOS040748064
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bta-9881
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