General Information of the Compound
| Compound ID |
CP0442055
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| Compound Name |
(R)-N-((R)-1-(4-((1H-tetrazol-5-yl)methyl)-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C32H40ClN7O2
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| Molecular Weight |
590.172
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cc3nnn[nH]3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C32H40ClN7O2/c33-26-12-10-22(11-13-26)18-28(35-30(41)27-19-23-6-4-5-7-24(23)21-34-27)31(42)40-16-14-32(15-17-40,20-29-36-38-39-37-29)25-8-2-1-3-9-25/h4-7,10-13,25,27-28,34H,1-3,8-9,14-21H2,(H,35,41)(H,36,37,38,39)/t27-,28-/m1/s1
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| InChIKey |
MOSMZJCDBAMZFP-VSGBNLITSA-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