General Information of the Compound
| Compound ID |
CP0536977
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| Compound Name |
US8653100, 2
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| Structure |
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| Formula |
C22H27ClN2O3S
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| Molecular Weight |
434.989
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| Canonical SMILES |
CS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H27ClN2O3S/c1-29(26,27)25-13-14-28-19-8-3-16-9-12-24-21(20(16)15-19)22(10-2-11-22)17-4-6-18(23)7-5-17/h3-8,15,21,24-25H,2,9-14H2,1H3
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| InChIKey |
SPFYOJRFXFKILJ-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