DRL-17822   Click here for help

GtoPdb Ligand ID: 10721

Synonyms: DRL 17822 | DRL17822 | Example 57 [US20070015758A1]
Compound class: Synthetic organic
Comment: DRL-17822 is a cholesteryl ester transfer protein (CETP) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 62.97
Molecular weight 603.25
XLogP 8.72
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES Cn1nnc(n1)N(Cc1cc2cccc(c2nc1N(CC1CC1)CC1CC1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric SMILES Cn1nnc(n1)N(Cc1cc2cccc(c2nc1N(CC1CC1)CC1CC1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI InChI=1S/C30H31F6N7/c1-18-4-3-5-22-12-23(27(37-26(18)22)42(14-19-6-7-19)15-20-8-9-20)17-43(28-38-40-41(2)39-28)16-21-10-24(29(31,32)33)13-25(11-21)30(34,35)36/h3-5,10-13,19-20H,6-9,14-17H2,1-2H3
InChI Key OCNBSSLDAIWTKS-UHFFFAOYSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
Synonyms Click here for help
DRL 17822 | DRL17822 | Example 57 [US20070015758A1]
Database Links Click here for help
CAS Registry No. 898911-09-6
GtoPdb PubChem SID 405560186
PubChem CID 58689743
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