General Information of the Compound
| Compound ID |
CP0506876
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| Compound Name |
US8912224, 364
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| Structure |
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| Formula |
C22H22N2O4S
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| Molecular Weight |
410.495
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| Canonical SMILES |
CC1Cc2cc(Oc3ncc(s3)C(=O)NCCO)ccc2OC1c1ccccc1
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| InChI |
InChI=1S/C22H22N2O4S/c1-14-11-16-12-17(27-22-24-13-19(29-22)21(26)23-9-10-25)7-8-18(16)28-20(14)15-5-3-2-4-6-15/h2-8,12-14,20,25H,9-11H2,1H3,(H,23,26)
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| InChIKey |
CMQFOJVBXXCIIC-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