General Information of the Compound
| Compound ID |
CP0569260
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| Compound Name |
US8772323, 51
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| Structure |
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| Formula |
C24H21N3O3S
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| Molecular Weight |
431.517
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2cccs2)cc1
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| InChI |
InChI=1S/C24H21N3O3S/c1-2-15-13-22(28)26-27-23(15)17-7-10-20-21(12-17)30-24(25-20)16-5-8-18(9-6-16)29-14-19-4-3-11-31-19/h3-12,15H,2,13-14H2,1H3,(H,26,28)
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| InChIKey |
DHELERBTCGYNFY-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