General Information of the Compound
| Compound ID |
CP0485233
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| Compound Name |
1-(4-chloro-2-(hydroxymethyl)phenyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C25H26ClF3N4O2
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| Molecular Weight |
506.956
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| Canonical SMILES |
OCc1cc(Cl)ccc1NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C25H26ClF3N4O2/c26-20-3-6-23(18(13-20)16-34)31-24(35)30-21-8-10-32(11-9-21)14-17-7-12-33(15-17)22-4-1-19(2-5-22)25(27,28)29/h1-7,12-13,15,21,34H,8-11,14,16H2,(H2,30,31,35)
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| InChIKey |
UUVJAPHKXSSWSL-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