General Information of the Compound
| Compound ID |
CP0264758
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| Compound Name |
US9242977, 54
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| Structure |
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| Formula |
C30H22F3N7O3S
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| Molecular Weight |
617.613
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| Canonical SMILES |
FC(F)(F)c1cnc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc(s3)N3CCCC3=O)nc2)c1)-c1ccccc1
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| InChI |
InChI=1S/C30H22F3N7O3S/c31-30(32,33)20-13-23(26(34-14-20)19-5-2-1-3-6-19)39-27(42)38-21-15-35-28(36-16-21)43-22-10-8-18(9-11-22)24-17-37-29(44-24)40-12-4-7-25(40)41/h1-3,5-6,8-11,13-17H,4,7,12H2,(H2,38,39,42)
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| InChIKey |
IHHCHLDQCMBOEJ-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