General Information of the Compound
| Compound ID |
CP0478130
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| Compound Name |
US9120798, 7
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| Structure |
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| Formula |
C32H33ClF3N5OS
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| Molecular Weight |
628.164
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| Canonical SMILES |
CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C32H33ClF3N5OS/c1-30(2,3)18-40-16-14-31(15-17-40)19-41(27-25(42)13-12-22(33)26(27)31)24-7-5-4-6-23(24)37-29-39-38-28(43-29)20-8-10-21(11-9-20)32(34,35)36/h4-13,42H,14-19H2,1-3H3,(H,37,39)
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| InChIKey |
WJZBEJQTCOEOPB-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