General Information of the Compound
| Compound ID |
CP0479992
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| Compound Name |
2-hydroxy-1-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-3-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
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| Structure |
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| Formula |
C36H44F3N5O6S
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| Molecular Weight |
731.838
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| Canonical SMILES |
COc1ccccc1C1CCN(CC(O)Cn2nc(c3CN(CCc23)C(=O)CO)-c2ccc(c(SCC(=O)N3CCOCC3)c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C36H44F3N5O6S/c1-49-31-5-3-2-4-27(31)24-8-11-41(12-9-24)19-26(46)20-44-30-10-13-43(33(47)22-45)21-28(30)35(40-44)25-6-7-29(36(37,38)39)32(18-25)51-23-34(48)42-14-16-50-17-15-42/h2-7,18,24,26,45-46H,8-17,19-23H2,1H3
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| InChIKey |
PIVRSNHLVOKPEY-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