General Information of the Compound
| Compound ID |
CP0455516
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| Compound Name |
[4-[6-amino-5-[4-(trifluoromethyl)phenyl]pyridin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C24H23F3N4O
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| Molecular Weight |
440.469
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N4O/c1-30-10-12-31(13-11-30)23(32)18-4-2-16(3-5-18)19-14-21(22(28)29-15-19)17-6-8-20(9-7-17)24(25,26)27/h2-9,14-15H,10-13H2,1H3,(H2,28,29)
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| InChIKey |
OZHSGHLFIJMSNI-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