General Information of the Compound
| Compound ID |
CP0462930
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| Compound Name |
2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
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| Structure |
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| Formula |
C35H44F3N5O6S2
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| Molecular Weight |
751.894
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| Canonical SMILES |
COc1ccccc1C1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(c(SCC(=O)N3CCOCC3)c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C35H44F3N5O6S2/c1-48-31-6-4-3-5-27(31)24-9-12-40(13-10-24)20-26(44)21-43-30-11-14-42(51(2,46)47)22-28(30)34(39-43)25-7-8-29(35(36,37)38)32(19-25)50-23-33(45)41-15-17-49-18-16-41/h3-8,19,24,26,44H,9-18,20-23H2,1-2H3
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| InChIKey |
BVQMJJWVIWSXBH-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