General Information of the Compound
| Compound ID |
CP0418254
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| Compound Name |
US9216968, 209
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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 |
Cc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(nc23)C2CC2)cc1Cl
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| InChI |
InChI=1S/C25H19Cl3N4O2/c1-12-2-6-15(10-20(12)28)29-25(34)18-9-16(11-21-22(18)32-23(31-21)13-3-4-13)30-24(33)17-8-14(26)5-7-19(17)27/h2,5-11,13H,3-4H2,1H3,(H,29,34)(H,30,33)(H,31,32)
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| InChIKey |
ZHWXSCPTLLHONN-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