General Information of the Compound
| Compound ID |
CP0459400
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| Compound Name |
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-{4-cyclohexyl-4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-yl}-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C33H42ClN7O2
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| Molecular Weight |
604.199
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| Canonical SMILES |
Cn1nnnc1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
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| InChI |
InChI=1S/C33H42ClN7O2/c1-40-30(37-38-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
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| InChIKey |
IJYUZXAPJHBRJR-FQLXRVMXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound