General Information of the Compound
| Compound ID |
CP0551075
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| Compound Name |
US8912224, 277
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| Structure |
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| Formula |
C22H17ClN4O4S
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| Molecular Weight |
468.922
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| Canonical SMILES |
Clc1ccc(cn1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccno3)ccc2O1
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| InChI |
InChI=1S/C22H17ClN4O4S/c23-20-6-2-14(10-24-20)18-4-1-13-9-15(3-5-17(13)30-18)29-22-26-12-19(32-22)21(28)25-11-16-7-8-27-31-16/h2-3,5-10,12,18H,1,4,11H2,(H,25,28)
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| InChIKey |
UCPNOCPEHWRZQL-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