General Information of the Compound
| Compound ID |
CP0551318
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| Compound Name |
US8772297, Y250
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| Structure |
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| Formula |
C32H42N4O7S2
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| Molecular Weight |
658.843
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(N3CCCCC3)c(c2)-c2ccco2)CC1
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| InChI |
InChI=1S/C32H42N4O7S2/c1-32(2,3)43-31(37)36-18-14-24(15-19-36)23-33-44(38,39)26-9-7-10-27(22-26)45(40,41)34-25-12-13-29(35-16-5-4-6-17-35)28(21-25)30-11-8-20-42-30/h7-13,20-22,24,33-34H,4-6,14-19,23H2,1-3H3
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| InChIKey |
RBPGJVUYJCINIU-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