General Information of the Compound
| Compound ID |
CP0474696
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| Compound Name |
US8791272, 1.14
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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\c3ccc(Cl)cc3)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C23H22ClN3O3/c1-15-21(13-23(29)30)16(2)27(26-15)14-18-5-10-20(11-6-18)25-22(28)12-7-17-3-8-19(24)9-4-17/h3-12H,13-14H2,1-2H3,(H,25,28)(H,29,30)/b12-7+
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| InChIKey |
NWBKXAUKDQVTDY-KPKJPENVSA-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