General Information of the Compound
| Compound ID |
CP0383804
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| Compound Name |
US8791272, 1.30
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| Structure |
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| Formula |
C25H22BrN3O3
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| Molecular Weight |
492.373
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3Br)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C25H22BrN3O3/c1-15-22(13-23(30)31)16(2)29(28-15)14-17-7-10-19(11-8-17)27-25(32)21-12-9-18-5-3-4-6-20(18)24(21)26/h3-12H,13-14H2,1-2H3,(H,27,32)(H,30,31)
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| InChIKey |
ZSBIFSNDAKEPGW-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