General Information of the Compound
| Compound ID |
CP0260743
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| Compound Name |
N-[2-[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanylethyl]-2-phenylacetamide
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| Structure |
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| Formula |
C36H45F3N6O5S2
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| Molecular Weight |
762.921
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCNC(=O)Cc2ccccc2)c1)C(F)(F)F
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| InChI |
InChI=1S/C36H45F3N6O5S2/c1-52(49,50)43-18-13-31-29(24-43)35(41-45(31)23-28(46)22-42-16-11-27(12-17-42)44-15-5-8-34(44)48)26-9-10-30(36(37,38)39)32(21-26)51-19-14-40-33(47)20-25-6-3-2-4-7-25/h2-4,6-7,9-10,21,27-28,46H,5,8,11-20,22-24H2,1H3,(H,40,47)
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| InChIKey |
JRPYINKBZWYPGK-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