General Information of the Compound
| Compound ID |
CP0535161
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| Compound Name |
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C31H30ClF3N4O
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| Molecular Weight |
567.055
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3ccncc3)c3ccc(Cl)cc3)CC2)c1
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| InChI |
InChI=1S/C31H30ClF3N4O/c32-27-5-1-24(2-6-27)30(25-9-14-36-15-10-25)37-29(40)19-22-11-16-38(17-12-22)20-23-13-18-39(21-23)28-7-3-26(4-8-28)31(33,34)35/h1-10,13-15,18,21-22,30H,11-12,16-17,19-20H2,(H,37,40)
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| InChIKey |
AVXNZTZDFIBZSK-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