General Information of the Compound
| Compound ID |
CP0461542
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| Compound Name |
US8791272, 2.56
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| Structure |
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| Formula |
C20H17Cl2N3O3
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| Molecular Weight |
418.28
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| Canonical SMILES |
Cc1c(CC(O)=O)cnn1Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C20H17Cl2N3O3/c1-12-15(9-19(26)27)10-23-25(12)11-13-2-5-16(6-3-13)24-20(28)14-4-7-17(21)18(22)8-14/h2-8,10H,9,11H2,1H3,(H,24,28)(H,26,27)
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| InChIKey |
NOIHLFDLMQUIGH-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