General Information of the Compound
| Compound ID |
CP0450088
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| Compound Name |
US8916553, 170
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| Structure |
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| Formula |
C19H19N3O4S
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| Molecular Weight |
385.445
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1ccc(c(OC)c1)-c1cncnc1C
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| InChI |
InChI=1S/C19H19N3O4S/c1-13-18(11-20-12-21-13)17-9-4-14(10-19(17)26-3)22-27(23,24)16-7-5-15(25-2)6-8-16/h4-12,22H,1-3H3
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| InChIKey |
AGFYCJNRMVUKIF-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