General Information of the Compound
| Compound ID |
CP0510116
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| Compound Name |
3-(hydroxymethyl)-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 |
C24H31F3N4O2
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| Molecular Weight |
464.532
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| Canonical SMILES |
OCC1CCCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C24H31F3N4O2/c25-24(26,27)20-3-5-22(6-4-20)30-13-7-18(15-30)14-29-11-8-21(9-12-29)28-23(33)31-10-1-2-19(16-31)17-32/h3-7,13,15,19,21,32H,1-2,8-12,14,16-17H2,(H,28,33)
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| InChIKey |
HOTDCTULQONLKR-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