General Information of the Compound
| Compound ID |
CP0486564
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| Compound Name |
US10047103, 178
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| Structure |
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| Formula |
C24H18N6O4S2
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| Molecular Weight |
518.58
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(=C)c3cncnc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C24H18N6O4S2/c1-13(14-7-25-12-26-8-14)22-27-15(11-35-22)10-33-19-4-16(31-2)5-20-17(19)6-21(34-20)18-9-30-23(28-18)36-24(29-30)32-3/h4-9,11-12H,1,10H2,2-3H3
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| InChIKey |
COJYCUONSGOQJB-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