General Information of the Compound
| Compound ID |
CP0506349
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| Compound Name |
N-[(2,4-dichlorophenyl)methyl]-1-[[1-[5-(trifluoromethyl)pyridin-2-yl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C24H23Cl2F3N4O
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| Molecular Weight |
511.375
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| Canonical SMILES |
FC(F)(F)c1ccc(nc1)-n1ccc(CN2CCC(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C24H23Cl2F3N4O/c25-20-3-1-18(21(26)11-20)12-31-23(34)17-6-8-32(9-7-17)14-16-5-10-33(15-16)22-4-2-19(13-30-22)24(27,28)29/h1-5,10-11,13,15,17H,6-9,12,14H2,(H,31,34)
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| InChIKey |
SFVQYLYTYFEWFD-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2