General Information of the Compound
| Compound ID |
CP0421691
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| Compound Name |
2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorophenyl)-6-(2-methoxyethylamino)pyridin-3-yl)-N,2-dimethylpropanamide
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| Structure |
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| Formula |
C27H26ClF6N3O2
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| Molecular Weight |
573.965
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| Canonical SMILES |
COCCNc1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1Cl
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| InChI |
InChI=1S/C27H26ClF6N3O2/c1-25(2,16-11-17(26(29,30)31)13-18(12-16)27(32,33)34)24(38)37(3)22-15-36-23(35-9-10-39-4)14-20(22)19-7-5-6-8-21(19)28/h5-8,11-15H,9-10H2,1-4H3,(H,35,36)
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| InChIKey |
KPSHRAGASWDIHK-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