General Information of the Compound
| Compound ID |
CP0500295
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| Compound Name |
[4-[6-amino-5-[6-(trifluoromethyl)pyridin-3-yl]pyridin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C23H22F3N5O
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| Molecular Weight |
441.457
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N5O/c1-30-8-10-31(11-9-30)22(32)16-4-2-15(3-5-16)18-12-19(21(27)29-14-18)17-6-7-20(28-13-17)23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H2,27,29)
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| InChIKey |
KTVZQGPZGOQBMV-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