General Information of the Compound
| Compound ID |
CP0560685
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| Compound Name |
US8653100, 40
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| Structure |
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| Formula |
C26H35ClN2O3S
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| Molecular Weight |
491.097
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| Canonical SMILES |
CCCCS(=O)(=O)NCCOc1ccc2CCN(C)C(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H35ClN2O3S/c1-3-4-18-33(30,31)28-15-17-32-23-11-6-20-12-16-29(2)25(24(20)19-23)26(13-5-14-26)21-7-9-22(27)10-8-21/h6-11,19,25,28H,3-5,12-18H2,1-2H3
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| InChIKey |
KMUGTUPYZNGVRB-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