General Information of the Compound
| Compound ID |
CP0546890
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| Compound Name |
US8791272, 2.13
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| Structure |
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| Formula |
C26H21Cl2N3O3
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| Molecular Weight |
494.378
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H21Cl2N3O3/c1-16-21(14-24(32)33)25(18-5-3-2-4-6-18)30-31(16)15-17-7-10-20(11-8-17)29-26(34)19-9-12-22(27)23(28)13-19/h2-13H,14-15H2,1H3,(H,29,34)(H,32,33)
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| InChIKey |
OSTDTUZTMRDFJA-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