General Information of the Compound
| Compound ID |
CP0497230
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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-(dimethylamino)propanoylamino]propanamide
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| Structure |
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| Formula |
C31H46ClN7O3
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| Molecular Weight |
600.208
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| Canonical SMILES |
CN(C)CCC(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
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| InChI |
InChI=1S/C31H46ClN7O3/c1-37(2)17-13-28(40)34-16-12-29(41)36-27(20-24-8-10-26(32)11-9-24)30(42)38-18-14-31(15-19-38,21-39-23-33-22-35-39)25-6-4-3-5-7-25/h8-11,22-23,25,27H,3-7,12-21H2,1-2H3,(H,34,40)(H,36,41)/t27-/m1/s1
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| InChIKey |
RQMFORFDNYSMEN-HHHXNRCGSA-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