General Information of the Compound
| Compound ID |
CP0539707
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| Compound Name |
US8653100, 28
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| Structure |
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| Formula |
C24H29ClN2O3S
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| Molecular Weight |
461.027
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)C3CC3)cc12
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| InChI |
InChI=1S/C24H29ClN2O3S/c25-19-5-3-18(4-6-19)24(11-1-12-24)23-22-16-20(7-2-17(22)10-13-26-23)30-15-14-27-31(28,29)21-8-9-21/h2-7,16,21,23,26-27H,1,8-15H2
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| InChIKey |
JIUABEOFJIHJDM-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