General Information of the Compound
| Compound ID |
CP0554490
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| Compound Name |
N-[3-[[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide
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| Structure |
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| Formula |
C33H41ClN6O3
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| Molecular Weight |
605.183
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)CCNC(=O)c2ccccc2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C33H41ClN6O3/c34-28-13-11-25(12-14-28)21-29(38-30(41)15-18-36-31(42)26-7-3-1-4-8-26)32(43)39-19-16-33(17-20-39,22-40-24-35-23-37-40)27-9-5-2-6-10-27/h1,3-4,7-8,11-14,23-24,27,29H,2,5-6,9-10,15-22H2,(H,36,42)(H,38,41)/t29-/m1/s1
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| InChIKey |
SFAXCTPUSFYBDQ-GDLZYMKVSA-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