General Information of the Compound
| Compound ID |
CP0169787
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| Compound Name |
CHEMBL2178939
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| Formula |
C22H28N4O4S
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| Molecular Weight |
444.557
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| Canonical SMILES |
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(=O)NS(C)(=O)=O)CC1
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| InChI |
InChI=1S/C22H28N4O4S/c1-13-20(25-21(22(23)28)14(2)24-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-19(27)26-31(3,29)30/h8-11,15-16H,4-7,12H2,1-3H3,(H2,23,28)(H,26,27)/t15-,16-
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| InChIKey |
HVPWRRGQIWGFTH-WKILWMFISA-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