General Information of the Compound
| Compound ID |
CP0470837
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| Compound Name |
(6-methoxy-2-methyl-4-quinolyl)-[3-(trifluoromethyl)benzyl]amine
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| Structure |
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| Formula |
C19H17F3N2O
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| Molecular Weight |
346.352
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| Canonical SMILES |
COc1ccc2nc(C)cc(NCc3cccc(c3)C(F)(F)F)c2c1
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| InChI |
InChI=1S/C19H17F3N2O/c1-12-8-18(16-10-15(25-2)6-7-17(16)24-12)23-11-13-4-3-5-14(9-13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)
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| InChIKey |
SGDQPSJNELHSAJ-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor