General Information of the Compound
| Compound ID |
CP0509441
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| Compound Name |
N-[3-chloro-4-[4-(cyclopropylmethylamino)piperidin-1-yl]phenyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C26H31ClF3N3O
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| Molecular Weight |
494.001
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| Canonical SMILES |
CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H31ClF3N3O/c1-25(2,18-4-3-5-19(14-18)26(28,29)30)24(34)32-21-8-9-23(22(27)15-21)33-12-10-20(11-13-33)31-16-17-6-7-17/h3-5,8-9,14-15,17,20,31H,6-7,10-13,16H2,1-2H3,(H,32,34)
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| InChIKey |
IXIYFAWMJZJKNH-UHFFFAOYSA-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