General Information of the Compound
| Compound ID |
CP0840925
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| Compound Name |
1-(3-((3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinolin-5-ylamino)methyl)phenyl)ethanone
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| Structure |
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| Formula |
C24H25F3N4O
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| Molecular Weight |
442.485
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| Canonical SMILES |
CC(=O)c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCN(C)CC4)cc23)c1
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| InChI |
InChI=1S/C24H25F3N4O/c1-16(32)18-5-3-4-17(10-18)14-28-22-11-19(24(25,26)27)12-23-21(22)13-20(15-29-23)31-8-6-30(2)7-9-31/h3-5,10-13,15,28H,6-9,14H2,1-2H3
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| InChIKey |
MXUQISHOEKMUEI-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