General Information of the Compound
| Compound ID |
CP0537645
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| Compound Name |
CHEMBL3361175
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| Formula |
C25H27N3O4S
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| Molecular Weight |
465.575
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1
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| InChI |
InChI=1S/C25H27N3O4S/c1-33(31,32)21-13-11-19(12-14-21)23-15-22(18-5-3-2-4-6-18)27-25(28-23)26-16-17-7-9-20(10-8-17)24(29)30/h2-6,11-15,17,20H,7-10,16H2,1H3,(H,29,30)(H,26,27,28)/t17-,20-
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| InChIKey |
JEBGMABYMIEDAP-IRJFHVNHSA-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