General Information of the Compound
| Compound ID |
CP0518828
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| Compound Name |
US9216968, 208
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| Structure |
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| Formula |
C25H19Cl3N4O2
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| Molecular Weight |
513.812
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(nc12)C1CC1
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| InChI |
InChI=1S/C25H19Cl3N4O2/c1-12-18(27)3-2-4-20(12)31-25(34)17-10-15(11-21-22(17)32-23(30-21)13-5-6-13)29-24(33)16-9-14(26)7-8-19(16)28/h2-4,7-11,13H,5-6H2,1H3,(H,29,33)(H,30,32)(H,31,34)
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| InChIKey |
MYZQIIXFEXVKPT-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