General Information of the Compound
| Compound ID |
CP0459885
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| Compound Name |
(R)-Piperidine-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
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| Structure |
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| Formula |
C29H41ClN6O2
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| Molecular Weight |
541.14
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@@H]2CCCNC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C29H41ClN6O2/c30-25-10-8-22(9-11-25)17-26(34-27(37)23-5-4-14-31-18-23)28(38)35-15-12-29(13-16-35,19-36-21-32-20-33-36)24-6-2-1-3-7-24/h8-11,20-21,23-24,26,31H,1-7,12-19H2,(H,34,37)/t23-,26-/m1/s1
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| InChIKey |
SZMRJYQXIMNTTB-ZEQKJWHPSA-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