General Information of the Compound
| Compound ID |
CP0563136
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| Compound Name |
US9434711, 114
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| Structure |
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| Formula |
C21H30N2O4S2
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| Molecular Weight |
438.615
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| Canonical SMILES |
CCS(=O)(=O)N(CC1CCCN1C(=O)OC(C)(C)C)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C21H30N2O4S2/c1-6-29(25,26)23(19-15(2)17-11-7-8-12-18(17)28-19)14-16-10-9-13-22(16)20(24)27-21(3,4)5/h7-8,11-12,16H,6,9-10,13-14H2,1-5H3
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| InChIKey |
YBCDYNQLDJNEOL-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