General Information of the Compound
| Compound ID |
CP0683797
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| Compound Name |
US9227979, 2
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| Structure |
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| Formula |
C35H27N9O6S
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| Molecular Weight |
701.725
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| Canonical SMILES |
Cn1cc2c(nc(NCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1
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| InChI |
InChI=1S/C35H27N9O6S/c1-43-17-25-30(41-43)40-34(44-32(25)39-31(42-44)26-4-2-13-49-26)36-11-3-12-37-35(51)38-18-5-8-21(24(14-18)33(47)48)29-22-9-6-19(45)15-27(22)50-28-16-20(46)7-10-23(28)29/h2,4-10,13-17,45H,3,11-12H2,1H3,(H,47,48)(H,36,40,41)(H2,37,38,51)
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| InChIKey |
OYUGPDTWADCFAD-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