General Information of the Compound
| Compound ID |
CP0560177
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| Compound Name |
US9000044, 66
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| Structure |
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| Formula |
C26H21ClN2O3
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| Molecular Weight |
444.918
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C26H21ClN2O3/c1-16-19(14-24(30)31)13-18-7-10-20(27)15-23(18)25(16)17-8-11-22(12-9-17)29-26(32)28-21-5-3-2-4-6-21/h2-13,15H,14H2,1H3,(H,30,31)(H2,28,29,32)
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| InChIKey |
MNXWHJYNJMPNPX-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