General Information of the Compound
| Compound ID |
CP0173372
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| Compound Name |
N-[1-[6-[3-[4-(trifluoromethyl)phenyl]propanoylamino]quinolin-2-yl]pyrrolidin-3-yl]benzamide
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| Structure |
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| Formula |
C30H27F3N4O2
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| Molecular Weight |
532.566
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| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCC(C2)NC(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H27F3N4O2/c31-30(32,33)23-10-6-20(7-11-23)8-15-28(38)34-24-12-13-26-22(18-24)9-14-27(36-26)37-17-16-25(19-37)35-29(39)21-4-2-1-3-5-21/h1-7,9-14,18,25H,8,15-17,19H2,(H,34,38)(H,35,39)
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| InChIKey |
WVAQXTJPENWXAK-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