General Information of the Compound
| Compound ID |
CP0563535
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| Compound Name |
US8791272, 13.3
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| Structure |
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| Formula |
C22H23ClN2O3
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| Molecular Weight |
398.89
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| Canonical SMILES |
Cc1nn(Cc2ccc(OCc3ccc(Cl)cc3C)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C22H23ClN2O3/c1-14-10-19(23)7-6-18(14)13-28-20-8-4-17(5-9-20)12-25-16(3)21(11-22(26)27)15(2)24-25/h4-10H,11-13H2,1-3H3,(H,26,27)
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| InChIKey |
WSCIWOZNIZOYDY-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