General Information of the Compound
| Compound ID |
CP0556280
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| Compound Name |
US8791272, 7.11
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| Structure |
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| Formula |
C23H22ClN3O3
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| Molecular Weight |
423.9
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)\C=C\c3ccccc3)cc2Cl)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C23H22ClN3O3/c1-15-20(13-23(29)30)16(2)27(26-15)14-18-9-10-19(12-21(18)24)25-22(28)11-8-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,25,28)(H,29,30)/b11-8+
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| InChIKey |
RPLHDIDYNQTOTR-DHZHZOJOSA-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