General Information of the Compound
| Compound ID |
CP0563894
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| Compound Name |
US8912224, 86
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| Structure |
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| Formula |
C24H22N4O3S
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| Molecular Weight |
446.532
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| Canonical SMILES |
Cn1nccc1C(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C24H22N4O3S/c1-28-20(11-12-27-28)23(29)25-14-19-15-26-24(32-19)30-18-8-10-22-17(13-18)7-9-21(31-22)16-5-3-2-4-6-16/h2-6,8,10-13,15,21H,7,9,14H2,1H3,(H,25,29)
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| InChIKey |
IWPMZJDSFIYDMV-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