General Information of the Compound
| Compound ID |
CP0514527
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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-[(2-methoxyacetyl)amino]propanamide
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| Structure |
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| Formula |
C29H41ClN6O4
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| Molecular Weight |
573.138
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| Canonical SMILES |
COCC(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
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| InChI |
InChI=1S/C29H41ClN6O4/c1-40-18-27(38)32-14-11-26(37)34-25(17-22-7-9-24(30)10-8-22)28(39)35-15-12-29(13-16-35,19-36-21-31-20-33-36)23-5-3-2-4-6-23/h7-10,20-21,23,25H,2-6,11-19H2,1H3,(H,32,38)(H,34,37)/t25-/m1/s1
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| InChIKey |
KGDZBOMXHSDSOS-RUZDIDTESA-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