General Information of the Compound
| Compound ID |
CP0394095
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| Compound Name |
US8653100, 187
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| Structure |
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| Formula |
C26H36ClN3O3S
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| Molecular Weight |
506.112
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| Canonical SMILES |
CCNCCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H36ClN3O3S/c1-2-28-14-4-18-34(31,32)30-16-17-33-23-10-5-20-11-15-29-25(24(20)19-23)26(12-3-13-26)21-6-8-22(27)9-7-21/h5-10,19,25,28-30H,2-4,11-18H2,1H3
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| InChIKey |
OPQOHHWHGHUXEY-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