General Information of the Compound
| Compound ID |
CP0325482
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| Compound Name |
US9296741, 144
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| Structure |
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| Formula |
C21H27N3O4S
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| Molecular Weight |
417.531
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| Canonical SMILES |
CCS(=O)(=O)Nc1ccc(OCC(C)(C)C)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
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| InChI |
InChI=1S/C21H27N3O4S/c1-6-29(26,27)23-14-7-8-18(28-13-21(2,3)4)16(11-14)17-12-24(5)20(25)19-15(17)9-10-22-19/h7-12,22-23H,6,13H2,1-5H3
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| InChIKey |
MAEDJUGOIKDPTL-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