General Information of the Compound
| Compound ID |
CP0511200
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| Compound Name |
N-[(2R,3R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C26H33ClN2O2
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| Molecular Weight |
441.015
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| Canonical SMILES |
CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H33ClN2O2/c1-3-19(2)25(28-24(30)14-9-20-7-5-4-6-8-20)26(31)29-17-15-22(16-18-29)21-10-12-23(27)13-11-21/h4-8,10-13,19,22,25H,3,9,14-18H2,1-2H3,(H,28,30)/t19-,25-/m1/s1
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| InChIKey |
USWDEOHUZSSEHO-KBMIEXCESA-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