General Information of the Compound
| Compound ID |
CP0478129
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| Compound Name |
US9120798, Comparator 4
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| Structure |
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| Formula |
C33H35F3N4S
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| Molecular Weight |
576.732
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| Canonical SMILES |
CC(C)(C)CN1CCC2(CN(c3ccccc23)c2ccccc2Nc2nc(c(s2)-c2ccccc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C33H35F3N4S/c1-31(2,3)21-39-19-17-32(18-20-39)22-40(26-15-9-7-13-24(26)32)27-16-10-8-14-25(27)37-30-38-29(33(34,35)36)28(41-30)23-11-5-4-6-12-23/h4-16H,17-22H2,1-3H3,(H,37,38)
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| InChIKey |
OHUALILQGYGFMF-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