General Information of the Compound
| Compound ID |
CP0562159
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| Compound Name |
US8912224, 47
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| Structure |
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| Formula |
C24H21N3O4S2
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| Molecular Weight |
479.583
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| Canonical SMILES |
O=S(=O)(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1cccnc1
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| InChI |
InChI=1S/C24H21N3O4S2/c28-33(29,21-7-4-12-25-16-21)27-15-20-14-26-24(32-20)30-19-9-11-23-18(13-19)8-10-22(31-23)17-5-2-1-3-6-17/h1-7,9,11-14,16,22,27H,8,10,15H2
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| InChIKey |
KNPQJKPQKBCFFP-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