General Information of the Compound
| Compound ID |
CP0452242
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| Compound Name |
2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorophenyl)-6-(2-hydroxyethylamino)pyridin-3-yl)-N,2-dimethylpropanamide
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| Structure |
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| Formula |
C26H24ClF6N3O2
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| Molecular Weight |
559.938
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| Canonical SMILES |
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(NCCO)cc1-c1ccccc1Cl
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| InChI |
InChI=1S/C26H24ClF6N3O2/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(38)36(3)21-14-35-22(34-8-9-37)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,37H,8-9H2,1-3H3,(H,34,35)
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| InChIKey |
NFUWMFTULXHEKZ-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: PT01199, Neuromedin-K receptor
Protein ID: PT01410, Substance-P receptor