General Information of the Compound
| Compound ID |
CP0227337
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| Compound Name |
US9242977, 72-3
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| Structure |
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| Formula |
C30H26F2N8O3S
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| Molecular Weight |
616.654
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| Canonical SMILES |
Cc1ccccc1-n1nc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(C)(F)F
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| InChI |
InChI=1S/C30H26F2N8O3S/c1-18-6-3-4-7-22(18)40-25(14-24(38-40)30(2,31)32)37-27(42)36-20-15-33-28(34-16-20)43-21-11-9-19(10-12-21)23-17-35-29(44-23)39-13-5-8-26(39)41/h3-4,6-7,9-12,14-17H,5,8,13H2,1-2H3,(H2,36,37,42)
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| InChIKey |
XWLGFOFXYSCKFD-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