General Information of the Compound
| Compound ID |
CP0527558
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| Compound Name |
US8912224, 115
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| Structure |
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| Formula |
C24H28N2O2S
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| Molecular Weight |
408.567
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| Canonical SMILES |
CC(C)CCNCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C24H28N2O2S/c1-17(2)12-13-25-15-21-16-26-24(29-21)27-20-9-11-23-19(14-20)8-10-22(28-23)18-6-4-3-5-7-18/h3-7,9,11,14,16-17,22,25H,8,10,12-13,15H2,1-2H3
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| InChIKey |
XZDRMWHWPNQRHE-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