General Information of the Compound
| Compound ID |
CP0491237
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| Compound Name |
3,4-difluoro-N-(4-((6-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl)phenyl)aniline
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| Structure |
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| Formula |
C24H22F3N3O
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| Molecular Weight |
425.454
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| Canonical SMILES |
Fc1cc2COC3(CCN(Cc4ccc(Nc5ccc(F)c(F)c5)cc4)CC3)c2cn1
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| InChI |
InChI=1S/C24H22F3N3O/c25-21-6-5-19(12-22(21)26)29-18-3-1-16(2-4-18)14-30-9-7-24(8-10-30)20-13-28-23(27)11-17(20)15-31-24/h1-6,11-13,29H,7-10,14-15H2
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| InChIKey |
KTRMFSXYMXPKHJ-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