General Information of the Compound
| Compound ID |
CP0481216
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| Compound Name |
US10167273, Example 87
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| Structure |
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| Formula |
C20H28ClN3O4S
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| Molecular Weight |
441.981
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| Canonical SMILES |
COc1cc(Cl)ccc1CC1(CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)OC
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| InChI |
InChI=1S/C20H28ClN3O4S/c1-14-19(15(2)23(3)22-14)29(25,26)24-10-8-20(28-5,9-11-24)13-16-6-7-17(21)12-18(16)27-4/h6-7,12H,8-11,13H2,1-5H3
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| InChIKey |
KKZQKMYNFDBBBA-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