General Information of the Compound
| Compound ID |
CP0450125
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| Compound Name |
US8791272, 1.2
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| Structure |
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| Formula |
C22H22ClN3O3
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| Molecular Weight |
411.889
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3C)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C22H22ClN3O3/c1-13-10-17(23)6-9-19(13)22(29)24-18-7-4-16(5-8-18)12-26-15(3)20(11-21(27)28)14(2)25-26/h4-10H,11-12H2,1-3H3,(H,24,29)(H,27,28)
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| InChIKey |
JLEUFUAAWXNUMH-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