General Information of the Compound
| Compound ID |
CP0535602
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| Compound Name |
US8653100, 78
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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 |
CCCS(=O)(=O)NCCOc1ccc2CCN(CCN)C(c2c1)C1(CCC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H36ClN3O3S/c1-2-17-34(31,32)29-13-16-33-23-8-7-20-9-14-30(15-12-28)25(24(20)19-23)26(10-4-11-26)21-5-3-6-22(27)18-21/h3,5-8,18-19,25,29H,2,4,9-17,28H2,1H3
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| InChIKey |
RXTIKBRZTNFWFZ-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