General Information of the Compound
| Compound ID |
CP0164712
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| Compound Name |
US9266869, 5
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| Structure |
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| Formula |
C23H19ClN4O3S
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| Molecular Weight |
466.95
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| Canonical SMILES |
CS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C23H19ClN4O3S/c1-32(2,31)28-23(30)18-13-17(21(25)26-14-18)7-6-15-4-3-5-20(12-15)27-22(29)16-8-10-19(24)11-9-16/h3-5,8-14H,1-2H3,(H2,25,26)(H,27,29)
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| InChIKey |
DZOBWWDWFFLTKN-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