General Information of the Compound
| Compound ID |
CP0894307
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| Compound Name |
morpholino(4-(5-(3-nitrobenzylamino)-7-(trifluoromethyl)quinolin-3-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C26H27F3N6O4
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| Molecular Weight |
544.534
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| Canonical SMILES |
O=C(N1CCOCC1)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1
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| InChI |
InChI=1S/C26H27F3N6O4/c27-26(28,29)19-13-23(30-16-18-2-1-3-20(12-18)35(37)38)22-15-21(17-31-24(22)14-19)32-4-6-33(7-5-32)25(36)34-8-10-39-11-9-34/h1-3,12-15,17,30H,4-11,16H2
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| InChIKey |
QSFGBNSTSAEDNQ-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