General Information of the Compound
| Compound ID |
CP0545174
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| Compound Name |
US10047103, 87
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| Structure |
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| Formula |
C19H17N5O4S2
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| Molecular Weight |
443.51
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(N)sc3C)cc(OC)cc2o1
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| InChI |
InChI=1S/C19H17N5O4S2/c1-9-13(21-17(20)29-9)8-27-14-4-10(25-2)5-15-11(14)6-16(28-15)12-7-24-18(22-12)30-19(23-24)26-3/h4-7H,8H2,1-3H3,(H2,20,21)
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| InChIKey |
UUDBZRMHMRVHLK-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