General Information of the Compound
| Compound ID |
CP0507252
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| Compound Name |
2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorophenyl)-6-(ethyl(2-hydroxyethyl)amino)pyridin-3-yl)-N,2-dimethylpropanamide
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| Structure |
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| Formula |
C28H28ClF6N3O2
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| Molecular Weight |
587.992
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| Canonical SMILES |
CCN(CCO)c1cc(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/C28H28ClF6N3O2/c1-5-38(10-11-39)24-15-21(20-8-6-7-9-22(20)29)23(16-36-24)37(4)25(40)26(2,3)17-12-18(27(30,31)32)14-19(13-17)28(33,34)35/h6-9,12-16,39H,5,10-11H2,1-4H3
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| InChIKey |
VVRKQCXRSANSIV-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