General Information of the Compound
| Compound ID |
CP0443031
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| Compound Name |
US8912224, 215
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| Structure |
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| Formula |
C26H22ClN3O3S
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| Molecular Weight |
492
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| Canonical SMILES |
Cc1ccccc1C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccnc(Cl)c3)ccc2O1
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| InChI |
InChI=1S/C26H22ClN3O3S/c1-16-4-2-3-5-20(16)22-8-6-18-13-19(7-9-21(18)33-22)32-26-30-15-23(34-26)25(31)29-14-17-10-11-28-24(27)12-17/h2-5,7,9-13,15,22H,6,8,14H2,1H3,(H,29,31)
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| InChIKey |
PDSUNWKNYPWZBC-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