General Information of the Compound
| Compound ID |
CP0523592
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| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
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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[C@@H]2CCCN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C29H41ClN6O2/c30-24-10-8-22(9-11-24)17-26(34-27(37)18-25-7-4-14-32-25)28(38)35-15-12-29(13-16-35,19-36-21-31-20-33-36)23-5-2-1-3-6-23/h8-11,20-21,23,25-26,32H,1-7,12-19H2,(H,34,37)/t25-,26+/m0/s1
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| InChIKey |
KSRYMSVYVHDTHG-IZZNHLLZSA-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