General Information of the Compound
| Compound ID |
CP0540146
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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]-3-(3-piperidin-1-ylpropanoylamino)propanamide
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| Structure |
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| Formula |
C34H50ClN7O3
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| Molecular Weight |
640.273
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)CCNC(=O)CCN2CCCCC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C34H50ClN7O3/c35-29-11-9-27(10-12-29)23-30(39-32(44)13-17-37-31(43)14-20-40-18-5-2-6-19-40)33(45)41-21-15-34(16-22-41,24-42-26-36-25-38-42)28-7-3-1-4-8-28/h9-12,25-26,28,30H,1-8,13-24H2,(H,37,43)(H,39,44)/t30-/m1/s1
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| InChIKey |
CDOZOPYVRWCAHF-SSEXGKCCSA-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