General Information of the Compound
| Compound ID |
CP0291546
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| Compound Name |
2-methyl-N-[1-[6-[3-[4-(trifluoromethyl)phenyl]propanoylamino]quinolin-2-yl]pyrrolidin-3-yl]propanamide
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| Structure |
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| Formula |
C27H29F3N4O2
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| Molecular Weight |
498.549
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| Canonical SMILES |
CC(C)C(=O)NC1CCN(C1)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C27H29F3N4O2/c1-17(2)26(36)32-22-13-14-34(16-22)24-11-6-19-15-21(9-10-23(19)33-24)31-25(35)12-5-18-3-7-20(8-4-18)27(28,29)30/h3-4,6-11,15,17,22H,5,12-14,16H2,1-2H3,(H,31,35)(H,32,36)
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| InChIKey |
YIMNCYNDKLUSBQ-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