General Information of the Compound
| Compound ID |
CP0544119
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| Compound Name |
US8912224, 300
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| Structure |
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| Formula |
C24H24N2O4S
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| Molecular Weight |
436.533
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| Canonical SMILES |
Cc1ccccc1C1CCc2cc(Oc3ncc(s3)C(=O)N3CC[C@@H](O)C3)ccc2O1
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| InChI |
InChI=1S/C24H24N2O4S/c1-15-4-2-3-5-19(15)21-8-6-16-12-18(7-9-20(16)30-21)29-24-25-13-22(31-24)23(28)26-11-10-17(27)14-26/h2-5,7,9,12-13,17,21,27H,6,8,10-11,14H2,1H3/t17-,21?/m1/s1
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| InChIKey |
DXXIQRWEBWJTJX-OQHSHRKDSA-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