General Information of the Compound
| Compound ID |
CP0546017
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| Compound Name |
US8912224, 102
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| Structure |
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| Formula |
C24H25N3O3S
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| Molecular Weight |
435.549
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| Canonical SMILES |
CN1CCN(Cc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)CC1=O
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| InChI |
InChI=1S/C24H25N3O3S/c1-26-11-12-27(16-23(26)28)15-20-14-25-24(31-20)29-19-8-10-22-18(13-19)7-9-21(30-22)17-5-3-2-4-6-17/h2-6,8,10,13-14,21H,7,9,11-12,15-16H2,1H3
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| InChIKey |
WUKMYYQBWDNDPQ-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