General Information of the Compound
| Compound ID |
CP0535606
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| Compound Name |
US8772297, Y177
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| Structure |
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| Formula |
C27H39N3O6S2
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| Molecular Weight |
565.758
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)C(C)(C)C)CC1
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| InChI |
InChI=1S/C27H39N3O6S2/c1-26(2,3)21-10-12-22(13-11-21)29-38(34,35)24-9-7-8-23(18-24)37(32,33)28-19-20-14-16-30(17-15-20)25(31)36-27(4,5)6/h7-13,18,20,28-29H,14-17,19H2,1-6H3
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| InChIKey |
JKSFRPPYFJWPAZ-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