General Information of the Compound
| Compound ID |
CP0572297
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| Compound Name |
US9434711, 90
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| Structure |
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| Formula |
C25H29ClN2O4S2
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| Molecular Weight |
521.104
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CN(c2sc3ccccc3c2Cl)S(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C25H29ClN2O4S2/c1-25(2,3)32-24(29)27-15-13-18(14-16-27)17-28(34(30,31)19-9-5-4-6-10-19)23-22(26)20-11-7-8-12-21(20)33-23/h4-12,18H,13-17H2,1-3H3
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| InChIKey |
WZNFSRRMQCCYBL-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