General Information of the Compound
| Compound ID |
CP0732199
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| Compound Name |
4-(5-(3-nitrobenzylamino)-7-(trifluoromethyl)quinolin-3-yl)-N-propylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C25H27F3N6O3
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| Molecular Weight |
516.524
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| Canonical SMILES |
CCCNC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1
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| InChI |
InChI=1S/C25H27F3N6O3/c1-2-6-29-24(35)33-9-7-32(8-10-33)20-14-21-22(12-18(25(26,27)28)13-23(21)31-16-20)30-15-17-4-3-5-19(11-17)34(36)37/h3-5,11-14,16,30H,2,6-10,15H2,1H3,(H,29,35)
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| InChIKey |
SVQVTOASDHWZRZ-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