General Information of the Compound
| Compound ID |
CP0426228
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| Compound Name |
US9212182, 465
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| Structure |
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| Formula |
C26H18ClFN4O4S
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| Molecular Weight |
536.972
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| Canonical SMILES |
COc1cc(c(Cl)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
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| InChI |
InChI=1S/C26H18ClFN4O4S/c1-36-24-13-20(16-3-2-4-18(28)11-16)21(27)14-23(24)32-22-7-6-19(12-17(22)5-8-26(32)33)37(34,35)31-25-9-10-29-15-30-25/h2-15H,1H3,(H,29,30,31)
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| InChIKey |
OMBVVEVBGAPMHP-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