General Information of the Compound
| Compound ID |
CP0401381
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| Compound Name |
2-[5-[5-acetyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-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 |
C36H44F3N5O5S
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| Molecular Weight |
715.839
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| Canonical SMILES |
COc1ccccc1C1CCN(CC(O)Cn2nc(c3CN(CCc23)C(C)=O)-c2ccc(c(SCC(=O)N3CCOCC3)c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C36H44F3N5O5S/c1-24(45)43-14-11-31-29(22-43)35(26-7-8-30(36(37,38)39)33(19-26)50-23-34(47)42-15-17-49-18-16-42)40-44(31)21-27(46)20-41-12-9-25(10-13-41)28-5-3-4-6-32(28)48-2/h3-8,19,25,27,46H,9-18,20-23H2,1-2H3
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| InChIKey |
CWGVZYZWFMYXPV-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