General Information of the Compound
| Compound ID |
CP0550319
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| Compound Name |
US8772297, Y296
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| Structure |
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| Formula |
C27H33N3O6S3
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| Molecular Weight |
591.777
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)-c2cccs2)CC1
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| InChI |
InChI=1S/C27H33N3O6S3/c1-27(2,3)36-26(31)30-14-12-20(13-15-30)19-28-38(32,33)23-9-5-10-24(18-23)39(34,35)29-22-8-4-7-21(17-22)25-11-6-16-37-25/h4-11,16-18,20,28-29H,12-15,19H2,1-3H3
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| InChIKey |
VDNCKKRXQVDNLP-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