General Information of the Compound
| Compound ID |
CP0407597
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| Compound Name |
N-[(2,4-dichlorophenyl)methyl]-4-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperazine-1-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(cc1)-n1ccc(CN2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C24H23Cl2F3N4O/c25-20-4-1-18(22(26)13-20)14-30-23(34)32-11-9-31(10-12-32)15-17-7-8-33(16-17)21-5-2-19(3-6-21)24(27,28)29/h1-8,13,16H,9-12,14-15H2,(H,30,34)
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| InChIKey |
JAMYXPZLLQFXDD-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