Enitociclib
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]-2-pyridinyl]pyridin-2-amine
Molecular Identity
Enitociclib
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]-2-pyridinyl]pyridin-2-amine
PubChem CID: 139593425
2D Structure
Properties
C19H18F2N4O2S
Molecular Formula
404.40
Molecular Weight
g/mol
404.1119
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
96.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
619
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)CS(=N)(=O)CIsomeric SMILES
SMILES: COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)C[S@@](=N)(=O)CSynonyms(20)
EnitociclibVIP152BAY-12511521255AT22ZJBAY1251152UNII-1255AT22ZJVIP-152ENITOCICLIB [INN]BAY 1251152RefChem:136857VIP 152PTEF-b/CDK9 Inhibitor VIP152PTEF-b/CDK9 Inhibitor BAY12511525-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-(4-((methylsulfonimidoyl)methyl)pyridin-2-yl)pyridin-2-amine5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine
Data from PubChem (NCBI)
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