General Information of the Compound
| Compound ID |
CP0398984
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| Compound Name |
1-(3-(pyrrolidine-1-carbonyl)piperidin-1-yl)-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 |
C29H37F3N4O2
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| Molecular Weight |
530.635
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCCC(C3)C(=O)N3CCCC3)CC2)c1
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| InChI |
InChI=1S/C29H37F3N4O2/c30-29(31,32)25-5-7-26(8-6-25)35-17-11-23(20-35)19-33-15-9-22(10-16-33)18-27(37)36-14-3-4-24(21-36)28(38)34-12-1-2-13-34/h5-8,11,17,20,22,24H,1-4,9-10,12-16,18-19,21H2
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| InChIKey |
HQFOXALTXMATRX-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