General Information of the Compound
| Compound ID |
CP0472051
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| Compound Name |
N-[1H-imidazol-5-yl(phenyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C29H30F3N5O
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| Molecular Weight |
521.587
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3cnc[nH]3)c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C29H30F3N5O/c30-29(31,32)24-6-8-25(9-7-24)37-15-12-22(19-37)18-36-13-10-21(11-14-36)16-27(38)35-28(26-17-33-20-34-26)23-4-2-1-3-5-23/h1-9,12,15,17,19-21,28H,10-11,13-14,16,18H2,(H,33,34)(H,35,38)
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| InChIKey |
ZMTJXLBSJWMAHF-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