Avatrombopag
1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
Molecular Identity
Avatrombopag
1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID: 9852519
2D Structure
Properties
C29H34Cl2N6O3S2
Molecular Formula
649.70
Molecular Weight
g/mol
648.1511
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
158
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
935
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)NC(=O)C4=CC(=C(N=C4)N5CCC(CC5)C(=O)O)Cl)C6=CC(=CS6)ClIsomeric SMILES
SMILES: C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)NC(=O)C4=CC(=C(N=C4)N5CCC(CC5)C(=O)O)Cl)C6=CC(=CS6)ClSynonyms(20)
AVATROMBOPAG570406-98-3AKR-501E5501YM4773H8GSZ4SQLYM-477AS 1670542YM 477YM-301477AKR5011-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acidDTXSID30205667E-55011-(3-CHLORO-5-{[4-(4-CHLOROTHIOPHEN-2-YL)-5-(4-CYCLOHEXYLPIPERAZIN-1-YL)-1,3-THIAZOL-2-YL]CARBAMOYL}PYRIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID
Data from PubChem (NCBI)
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Drug Network
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