General Information of the Compound
| Compound ID |
CP0442261
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| Compound Name |
US8987445, 160
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| Structure |
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| Formula |
C28H24N3NaO4S
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| Molecular Weight |
521.574
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| Canonical SMILES |
CCn1c(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(cc2)C(=O)O[Na])cc2ccccc12
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| InChI |
InChI=1S/C28H25N3O4S.Na/c1-3-30-23(16-21-8-5-7-11-26(21)30)18-31(27-19(2)25-10-6-4-9-22(25)17-29-27)36(34,35)24-14-12-20(13-15-24)28(32)33;/h4-17H,3,18H2,1-2H3,(H,32,33);/q;+1/p-1
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| InChIKey |
SNPYYDPYZKOTTH-UHFFFAOYSA-M
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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