General Information of the Compound
| Compound ID |
CP0485355
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| Compound Name |
3-(4-methoxyphenoxy)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)azetidine-1-carboxamide
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| Structure |
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| Formula |
C28H31F3N4O3
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| Molecular Weight |
528.575
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| Canonical SMILES |
COc1ccc(OC2CN(C2)C(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)cc1
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| InChI |
InChI=1S/C28H31F3N4O3/c1-37-24-6-8-25(9-7-24)38-26-18-35(19-26)27(36)32-22-11-13-33(14-12-22)16-20-10-15-34(17-20)23-4-2-21(3-5-23)28(29,30)31/h2-10,15,17,22,26H,11-14,16,18-19H2,1H3,(H,32,36)
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| InChIKey |
WXHIYPPCEREDIX-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