General Information of the Compound
| Compound ID |
CP0450031
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| Compound Name |
US9340555, 23
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| Structure |
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| Formula |
C31H32F2N6O5S
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| Molecular Weight |
638.697
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| Canonical SMILES |
CCOC(=O)N1CCN(CCNC(=O)c2cc3nccc(Oc4ccc(NC(=O)Nc5cc(C)ccc5F)c(F)c4)c3s2)CC1
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| InChI |
InChI=1S/C31H32F2N6O5S/c1-3-43-31(42)39-14-12-38(13-15-39)11-10-35-29(40)27-18-25-28(45-27)26(8-9-34-25)44-20-5-7-23(22(33)17-20)36-30(41)37-24-16-19(2)4-6-21(24)32/h4-9,16-18H,3,10-15H2,1-2H3,(H,35,40)(H2,36,37,41)
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| InChIKey |
IAYMHFSZYNWIEK-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