General Information of the Compound
| Compound ID |
CP0323003
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| Compound Name |
US9320734, 389
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| Formula |
C20H16ClN7O4S2
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| Molecular Weight |
517.98
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| Canonical SMILES |
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1\N=N\c1ccc(cc1)S(=O)(=O)Nc1nnc(C)s1
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| InChI |
InChI=1S/C20H16ClN7O4S2/c1-11-17(19(30)28(26-11)18(29)13-3-5-14(21)6-4-13)24-23-15-7-9-16(10-8-15)34(31,32)27-20-25-22-12(2)33-20/h3-10,17H,1-2H3,(H,25,27)/b24-23+
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| InChIKey |
CLHYHMXPLMIMQW-WCWDXBQESA-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