General Information of the Compound
| Compound ID |
CP0564131
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| Compound Name |
US9493412, 83
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| Structure |
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| Formula |
C21H23N3O5S
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| Molecular Weight |
429.498
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| Canonical SMILES |
CN1CC(C(=O)NCc2cccc(c2)-c2ccc(CNS(C)(=O)=O)cc2)=C(O)C1=O
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| InChI |
InChI=1S/C21H23N3O5S/c1-24-13-18(19(25)21(24)27)20(26)22-11-15-4-3-5-17(10-15)16-8-6-14(7-9-16)12-23-30(2,28)29/h3-10,23,25H,11-13H2,1-2H3,(H,22,26)
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| InChIKey |
KGEIAACWRFXQJM-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