General Information of the Compound
| Compound ID |
CP0319107
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| Compound Name |
US9242977, 50
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| Structure |
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| Formula |
C30H20F6N8O3S
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| Molecular Weight |
686.598
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| Canonical SMILES |
FC(F)(F)c1cnc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc(s3)N3CCCC3=O)nc2)c1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C30H20F6N8O3S/c31-29(32,33)18-10-21(25(38-12-18)17-5-8-23(37-11-17)30(34,35)36)43-26(46)42-19-13-39-27(40-14-19)47-20-6-3-16(4-7-20)22-15-41-28(48-22)44-9-1-2-24(44)45/h3-8,10-15H,1-2,9H2,(H2,42,43,46)
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| InChIKey |
APHUQFJCHJWGLR-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