General Information of the Compound
| Compound ID |
CP0540104
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| Compound Name |
(R)-Piperidine-3-carboxylic acid {2-[(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethylcarbamoyl]-ethyl}-amide
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| Structure |
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| Formula |
C32H46ClN7O3
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| Molecular Weight |
612.219
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCCNC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C32H46ClN7O3/c33-27-10-8-24(9-11-27)19-28(38-29(41)12-16-36-30(42)25-5-4-15-34-20-25)31(43)39-17-13-32(14-18-39,21-40-23-35-22-37-40)26-6-2-1-3-7-26/h8-11,22-23,25-26,28,34H,1-7,12-21H2,(H,36,42)(H,38,41)/t25-,28-/m1/s1
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| InChIKey |
PYZNQWVWNZMBOX-LEAFIULHSA-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