General Information of the Compound
| Compound ID |
CP0390251
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| Compound Name |
US8653100, 17
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| Structure |
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| Formula |
C25H27ClN2O3S2
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| Molecular Weight |
503.089
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)c3cccs3)cc12
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| InChI |
InChI=1S/C25H27ClN2O3S2/c26-20-7-5-19(6-8-20)25(11-2-12-25)24-22-17-21(9-4-18(22)10-13-27-24)31-15-14-28-33(29,30)23-3-1-16-32-23/h1,3-9,16-17,24,27-28H,2,10-15H2
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| InChIKey |
ZUNOQVCWMWEUEB-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