General Information of the Compound
| Compound ID |
CP0431390
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| Compound Name |
(S)-3-hydroxy-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C22H27F3N4O2
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| Molecular Weight |
436.478
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| Canonical SMILES |
O[C@H]1CCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C22H27F3N4O2/c23-22(24,25)17-1-3-19(4-2-17)28-11-5-16(14-28)13-27-9-6-18(7-10-27)26-21(31)29-12-8-20(30)15-29/h1-5,11,14,18,20,30H,6-10,12-13,15H2,(H,26,31)/t20-/m0/s1
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| InChIKey |
CTRFGUFUXSJXQG-FQEVSTJZSA-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