General Information of the Compound
| Compound ID |
CP0954471
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| Compound Name |
US8912224, 131
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| Structure |
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| Formula |
C24H24N4O4S2
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| Molecular Weight |
496.614
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
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| InChI |
InChI=1S/C24H24N4O4S2/c1-15-23(16(2)28-27-15)34(29,30)26-14-20-13-25-24(33-20)31-19-9-11-22-18(12-19)8-10-21(32-22)17-6-4-3-5-7-17/h3-7,9,11-13,21,26H,8,10,14H2,1-2H3,(H,27,28)
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| InChIKey |
IYLUZRUOKYYRTF-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