General Information of the Compound
| Compound ID |
CP0892683
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| Compound Name |
2-amino-1-(4-(5-(3-nitrobenzylamino)-7-(trifluoromethyl)quinolin-3-yl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C23H23F3N6O3
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| Molecular Weight |
488.47
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| Canonical SMILES |
NCC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1
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| InChI |
InChI=1S/C23H23F3N6O3/c24-23(25,26)16-9-20(28-13-15-2-1-3-17(8-15)32(34)35)19-11-18(14-29-21(19)10-16)30-4-6-31(7-5-30)22(33)12-27/h1-3,8-11,14,28H,4-7,12-13,27H2
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| InChIKey |
VODMTJGRVGLIBJ-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