General Information of the Compound
| Compound ID |
CP0546893
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| Compound Name |
US8912224, 332
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| Structure |
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| Formula |
C24H26N2O3S
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| Molecular Weight |
422.55
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| Canonical SMILES |
CCCNC(=O)c1sc(Oc2ccc3OC(CCc3c2)c2ccccc2C)nc1C
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| InChI |
InChI=1S/C24H26N2O3S/c1-4-13-25-23(27)22-16(3)26-24(30-22)28-18-10-12-20-17(14-18)9-11-21(29-20)19-8-6-5-7-15(19)2/h5-8,10,12,14,21H,4,9,11,13H2,1-3H3,(H,25,27)
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| InChIKey |
OAAABMZYTZSDAL-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