General Information of the Compound
| Compound ID |
CP0503617
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| Compound Name |
US8653100, 14
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| Structure |
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| Formula |
C26H27ClFN3O3S
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| Molecular Weight |
516.038
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| Canonical SMILES |
Fc1cc2CCNC(c2cc1OCCNS(=O)(=O)c1cccnc1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H27ClFN3O3S/c27-20-6-4-19(5-7-20)26(9-2-10-26)25-22-16-24(23(28)15-18(22)8-12-30-25)34-14-13-31-35(32,33)21-3-1-11-29-17-21/h1,3-7,11,15-17,25,30-31H,2,8-10,12-14H2
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| InChIKey |
FSMLMGRCZLNPAQ-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