General Information of the Compound
| Compound ID |
CP0407601
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| Compound Name |
1-(2-(pyrrolidine-1-carbonyl)morpholino)-2-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)ethanone
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| Structure |
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| Formula |
C28H35F3N4O3
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| Molecular Weight |
532.607
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCOC(C3)C(=O)N3CCCC3)CC2)c1
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| InChI |
InChI=1S/C28H35F3N4O3/c29-28(30,31)23-3-5-24(6-4-23)34-14-9-22(19-34)18-32-12-7-21(8-13-32)17-26(36)35-15-16-38-25(20-35)27(37)33-10-1-2-11-33/h3-6,9,14,19,21,25H,1-2,7-8,10-13,15-18,20H2
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| InChIKey |
QIMWBZROQBNRAN-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