General Information of the Compound
| Compound ID |
CP0423614
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| Compound Name |
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(4-fluorophenyl)propanamide
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| Structure |
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| Formula |
C25H30ClFN2O2
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| Molecular Weight |
444.978
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H30ClFN2O2/c1-17(2)24(28-23(30)12-5-18-3-10-22(27)11-4-18)25(31)29-15-13-20(14-16-29)19-6-8-21(26)9-7-19/h3-4,6-11,17,20,24H,5,12-16H2,1-2H3,(H,28,30)/t24-/m1/s1
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| InChIKey |
VLVKSKNOZUFXCR-XMMPIXPASA-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