General Information of the Compound
| Compound ID |
CP0556604
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| Compound Name |
US8912224, 335
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| Structure |
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| Formula |
C23H24N2O4S
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| Molecular Weight |
424.522
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| Canonical SMILES |
Cc1nc(Oc2ccc3OC(CCc3c2)c2ccccc2C)sc1C(=O)NCCO
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| InChI |
InChI=1S/C23H24N2O4S/c1-14-5-3-4-6-18(14)20-9-7-16-13-17(8-10-19(16)29-20)28-23-25-15(2)21(30-23)22(27)24-11-12-26/h3-6,8,10,13,20,26H,7,9,11-12H2,1-2H3,(H,24,27)
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| InChIKey |
DMIPPPFIKPSSGE-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