General Information of the Compound
| Compound ID |
CP0672402
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| Compound Name |
3-((3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinolin-5-ylamino)methyl)benzonitrile
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| Structure |
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| Formula |
C23H22F3N5
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| Molecular Weight |
425.458
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| Canonical SMILES |
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc(C#N)c4)c3c2)CC1
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| InChI |
InChI=1S/C23H22F3N5/c1-30-5-7-31(8-6-30)19-12-20-21(28-14-17-4-2-3-16(9-17)13-27)10-18(23(24,25)26)11-22(20)29-15-19/h2-4,9-12,15,28H,5-8,14H2,1H3
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| InChIKey |
XKPVANIUEZWDCZ-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