CETP inhibitor
4-[(2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,6-diethylpiperidine-1-carbonyl]oxycyclohexane-1-carboxylic acid
Molecular Identity
CETP inhibitor
4-[(2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,6-diethylpiperidine-1-carbonyl]oxycyclohexane-1-carboxylic acid
PubChem CID: 57686716
2D Structure
Properties
C34H40F6N6O4
Molecular Formula
710.70
Molecular Weight
g/mol
710.3015
Exact Mass
Da
7
XLogP
Above Lipinski threshold
114
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
14
H-Bond Acceptors
1100
Complexity
SMILES
Canonical SMILES
SMILES: CCC1CC(CC(N1C(=O)OC2CCC(CC2)C(=O)O)CC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)C5=CN(N=C5)CIsomeric SMILES
SMILES: CC[C@H]1CC(C[C@H](N1C(=O)OC2CCC(CC2)C(=O)O)CC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)C5=CN(N=C5)CSynonyms(20)
CETP inhibitorTAP311CHEMBL4075773orb1990279SCHEMBL9885581SCHEMBL9885586SCHEMBL20226116SCHEMBL20226122SCHEMBL22205218KSPXRTYMEVDHAB-FOQIAJMMSA-NKSPXRTYMEVDHAB-GOOXVWAMSA-NKSPXRTYMEVDHAB-MIDITZDUSA-NKSPXRTYMEVDHAB-NQMIVJHLSA-NKSPXRTYMEVDHAB-WBONASMQSA-NBDBM50250366
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to CETP inhibitor
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