General Information of the Compound
| Compound ID |
CP0399181
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| Compound Name |
US8772297, Y224
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| Structure |
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| Formula |
C28H40N4O6S2
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| Molecular Weight |
592.784
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCCCC2)CC1
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| InChI |
InChI=1S/C28H40N4O6S2/c1-28(2,3)38-27(33)32-18-14-22(15-19-32)21-29-39(34,35)25-8-7-9-26(20-25)40(36,37)30-23-10-12-24(13-11-23)31-16-5-4-6-17-31/h7-13,20,22,29-30H,4-6,14-19,21H2,1-3H3
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| InChIKey |
WSLPNSLOAVFHRC-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