General Information of the Compound
| Compound ID |
CP0491749
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| Compound Name |
N-[bis(4-fluorophenyl)methyl]-2-[1-[[1-[5-(trifluoromethyl)pyridin-2-yl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C31H29F5N4O
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| Molecular Weight |
568.59
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| Canonical SMILES |
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C31H29F5N4O/c32-26-6-1-23(2-7-26)30(24-3-8-27(33)9-4-24)38-29(41)17-21-11-14-39(15-12-21)19-22-13-16-40(20-22)28-10-5-25(18-37-28)31(34,35)36/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,38,41)
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| InChIKey |
RWHIDQWJRLHVCH-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