General Information of the Compound
| Compound ID |
CP0445920
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| Compound Name |
6-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(2,3-dimethylphenyl)pyridin-2-amine
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| Structure |
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| Formula |
C29H34F3N3
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| Molecular Weight |
481.606
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| Canonical SMILES |
Cc1cccc(Nc2cccc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)n2)c1C
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| InChI |
InChI=1S/C29H34F3N3/c1-21-10-8-16-27(22(21)2)34-28-17-9-14-25(33-28)20-35(18-23-11-4-3-5-12-23)19-24-13-6-7-15-26(24)29(30,31)32/h6-10,13-17,23H,3-5,11-12,18-20H2,1-2H3,(H,33,34)
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| InChIKey |
CKGSWJQEGHYAHM-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