General Information of the Compound
| Compound ID |
CP0840924
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| Compound Name |
4-(dimethylamino)-1-(4-(5-(3-nitrobenzylamino)-7-(trifluoromethyl)quinolin-3-yl)piperazin-1-yl)but-2-en-1-one
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| Structure |
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| Formula |
C27H29F3N6O3
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| Molecular Weight |
542.562
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| Canonical SMILES |
CN(C)C/C=C/C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1
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| InChI |
InChI=1S/C27H29F3N6O3/c1-33(2)8-4-7-26(37)35-11-9-34(10-12-35)22-16-23-24(14-20(27(28,29)30)15-25(23)32-18-22)31-17-19-5-3-6-21(13-19)36(38)39/h3-7,13-16,18,31H,8-12,17H2,1-2H3/b7-4+
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| InChIKey |
DQFQFNHOUQAXFI-QPJJXVBHSA-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