General Information of the Compound
| Compound ID |
CP0407598
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| Compound Name |
N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C29H33F4N3O2
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| Molecular Weight |
531.594
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| Canonical SMILES |
OCCCN(Cc1ccc(F)cc1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H33F4N3O2/c30-26-6-2-23(3-7-26)20-36(13-1-17-37)28(38)18-22-10-14-34(15-11-22)19-24-12-16-35(21-24)27-8-4-25(5-9-27)29(31,32)33/h2-9,12,16,21-22,37H,1,10-11,13-15,17-20H2
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| InChIKey |
TVRSQRQEYMGJLM-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