General Information of the Compound
| Compound ID |
CP0517953
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| Compound Name |
US8772297, Y185
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| Structure |
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| Formula |
C27H38N4O7S2
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| Molecular Weight |
594.756
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C27H38N4O7S2/c1-27(2,3)38-26(32)31-13-11-21(12-14-31)20-28-39(33,34)24-5-4-6-25(19-24)40(35,36)29-22-7-9-23(10-8-22)30-15-17-37-18-16-30/h4-10,19,21,28-29H,11-18,20H2,1-3H3
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| InChIKey |
QBVMNKUHILADBF-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