General Information of the Compound
| Compound ID |
CP0480756
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| Compound Name |
US8653100, 145
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| Structure |
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| Formula |
C22H29ClN2O3S
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| Molecular Weight |
437.005
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCNC(C(C)c3ccc(Cl)cc3)c2c1
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| InChI |
InChI=1S/C22H29ClN2O3S/c1-3-14-29(26,27)25-12-13-28-20-9-6-18-10-11-24-22(21(18)15-20)16(2)17-4-7-19(23)8-5-17/h4-9,15-16,22,24-25H,3,10-14H2,1-2H3
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| InChIKey |
CDJZSSOSGZCBKM-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