Cep-37440
2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide
Molecular Identity
Cep-37440
2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide
PubChem CID: 71721648
2D Structure
Properties
C30H38ClN7O3
Molecular Formula
580.10
Molecular Weight
g/mol
579.2725
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
115
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
9
H-Bond Acceptors
819
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(CC(CCC4)N5CCN(CC5)CCO)C=C3)OCIsomeric SMILES
SMILES: CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(C[C@H](CCC4)N5CCN(CC5)CCO)C=C3)OCSynonyms(20)
CEP-374401391712-60-9Alk-fak inhibitor CEP-37440O3MNS8782HBenzamide, 2-((5-chloro-2-(((6S)-6,7,8,9-tetrahydro-6-(4-(2-hydroxyethyl)-1-piperazinyl)-1-methoxy-5H-benzocyclohepten-2-yl)amino)-4-pyrimidinyl)amino)-N-methyl-2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide2-[(5-chloro-2-{[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}pyrimidin-4-yl)amino]-N-methylbenzamide2-((5-chloro-2-(((6S)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo(7)annulen-2-yl)amino)pyrimidin-4-yl)amino)-N-methylbenzamideBenzamide, 2-[[5-chloro-2-[[(6S)-6,7,8,9-tetrahydro-6-[4-(2-hydroxyethyl)-1-piperazinyl]-1-methoxy-5H-benzocyclohepten-2-yl]amino]-4-pyrimidinyl]amino]-N-methyl-RefChem:124349UNII-O3MNS8782H(S)-2-((5-Chloro-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino)pyrimidin-4-yl)amino)-N-methylbenzamideMFCD28009441CHEMBL3951811CEP37440
Data from PubChem (NCBI)
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