General Information of the Compound
| Compound ID |
CP0429113
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| Compound Name |
US9040693, 31
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| Structure |
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| Formula |
C23H19ClN4O5S2
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| Molecular Weight |
531.015
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| Canonical SMILES |
CNC(=O)c1scc2[nH]c(=O)n(-c3cc(ccc3Cl)S(=O)(=O)N3CCCc4ccccc34)c(=O)c12
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| InChI |
InChI=1S/C23H19ClN4O5S2/c1-25-21(29)20-19-16(12-34-20)26-23(31)28(22(19)30)18-11-14(8-9-15(18)24)35(32,33)27-10-4-6-13-5-2-3-7-17(13)27/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,25,29)(H,26,31)
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| InChIKey |
HXDRHIVZXXJJCF-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