General Information of the Compound
| Compound ID |
CP0474043
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| Compound Name |
(+/-)-N-(3-(3'H-spiro[cyclohexane-1,1'-isobenzofuran]-4-yl)propyl)-2-(3,4-difluorophenyl)-N-methyl-2-(1H-pyrazol-1-yl)acetamide
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| Structure |
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| Formula |
C28H31F2N3O2
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| Molecular Weight |
479.571
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| Canonical SMILES |
CN(CCCC1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
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| InChI |
InChI=1S/C28H31F2N3O2/c1-32(27(34)26(33-17-5-15-31-33)21-9-10-24(29)25(30)18-21)16-4-6-20-11-13-28(14-12-20)23-8-3-2-7-22(23)19-35-28/h2-3,5,7-10,15,17-18,20,26H,4,6,11-14,16,19H2,1H3
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| InChIKey |
ZDWRWVXWVHMQNH-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1