General Information of the Compound
| Compound ID |
CP0473759
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| Compound Name |
4-(2-hydroxyphenyl)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C29H33F3N4O2
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| Molecular Weight |
526.603
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| Canonical SMILES |
Oc1ccccc1C1CCN(CC1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H33F3N4O2/c30-29(31,32)23-5-7-25(8-6-23)36-16-9-21(20-36)19-34-14-12-24(13-15-34)33-28(38)35-17-10-22(11-18-35)26-3-1-2-4-27(26)37/h1-9,16,20,22,24,37H,10-15,17-19H2,(H,33,38)
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| InChIKey |
OXKPYWCKPYZUOE-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