General Information of the Compound
| Compound ID |
CP0419954
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| Compound Name |
US9216968, 87
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| Structure |
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| Formula |
C26H23Cl3N4O2
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| Molecular Weight |
529.855
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(nc12)C(C)(C)C
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| InChI |
InChI=1S/C26H23Cl3N4O2/c1-13-18(28)6-5-7-20(13)31-24(35)17-11-15(12-21-22(17)33-25(32-21)26(2,3)4)30-23(34)16-10-14(27)8-9-19(16)29/h5-12H,1-4H3,(H,30,34)(H,31,35)(H,32,33)
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| InChIKey |
ARQIBQGXTSUWNE-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