General Information of the Compound
| Compound ID |
CP0472812
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| Compound Name |
US9169240, 83
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| Structure |
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| Formula |
C20H16N6O5S2
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| Molecular Weight |
484.519
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| Canonical SMILES |
NS(=O)(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(N[C@H]2CCNC2=O)o1
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| InChI |
InChI=1S/C20H16N6O5S2/c21-33(29,30)12-4-1-10(2-5-12)11-3-6-13-15(9-11)32-19(23-13)16(27)18-25-26-20(31-18)24-14-7-8-22-17(14)28/h1-6,9,14H,7-8H2,(H,22,28)(H,24,26)(H2,21,29,30)/t14-/m0/s1
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| InChIKey |
KNXGZFREQVHTMB-AWEZNQCLSA-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