General Information of the Compound
| Compound ID |
CP0481309
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| Compound Name |
[4-[6-amino-5-[6-(trifluoromethyl)pyridin-3-yl]pyridin-3-yl]phenyl]-piperazin-1-ylmethanone
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| Structure |
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| Formula |
C22H20F3N5O
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| Molecular Weight |
427.43
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| Canonical SMILES |
Nc1ncc(cc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1
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| InChI |
InChI=1S/C22H20F3N5O/c23-22(24,25)19-6-5-16(12-28-19)18-11-17(13-29-20(18)26)14-1-3-15(4-2-14)21(31)30-9-7-27-8-10-30/h1-6,11-13,27H,7-10H2,(H2,26,29)
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| InChIKey |
YKYRALGUUUMXIK-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