General Information of the Compound
| Compound ID |
CP0535628
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| Compound Name |
US8653100, 135
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| Structure |
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| Formula |
C25H33ClN2O4S
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| Molecular Weight |
493.069
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| Canonical SMILES |
COCCNS(=O)(=O)CCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H33ClN2O4S/c1-31-16-14-28-33(29,30)17-3-15-32-22-9-4-19-10-13-27-24(23(19)18-22)25(11-2-12-25)20-5-7-21(26)8-6-20/h4-9,18,24,27-28H,2-3,10-17H2,1H3
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| InChIKey |
SCHHYAJELTZZQH-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