General Information of the Compound
| Compound ID |
CP0060918
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| Compound Name |
CHEMBL2086747
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| Formula |
C25H22N4O4S
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| Molecular Weight |
474.542
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| Canonical SMILES |
COCCNS(=O)(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H22N4O4S/c1-33-14-13-26-34(31,32)17-11-12-19-18(15-17)23(25(30)29-19)22(16-7-3-2-4-8-16)24-27-20-9-5-6-10-21(20)28-24/h2-12,15,26H,13-14H2,1H3,(H,27,28)(H,29,30)
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| InChIKey |
BJAASXVXFJHSDM-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