General Information of the Compound
| Compound ID |
CP0441934
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| Compound Name |
US8912224, 109
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| Structure |
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| Formula |
C24H24F2N2O2S
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| Molecular Weight |
442.531
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| Canonical SMILES |
FC1(F)CCN(Cc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)CC1
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| InChI |
InChI=1S/C24H24F2N2O2S/c25-24(26)10-12-28(13-11-24)16-20-15-27-23(31-20)29-19-7-9-22-18(14-19)6-8-21(30-22)17-4-2-1-3-5-17/h1-5,7,9,14-15,21H,6,8,10-13,16H2
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| InChIKey |
BWZRGOFMFIRQRX-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