General Information of the Compound
| Compound ID |
CP0560354
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| Compound Name |
US8791272, 14.4
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| Structure |
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| Formula |
C22H22Cl2N2O3
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| Molecular Weight |
433.335
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| Canonical SMILES |
CC(Oc1ccc(Cl)c(Cl)c1)c1ccc(Cn2nc(C)c(CC(O)=O)c2C)cc1
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| InChI |
InChI=1S/C22H22Cl2N2O3/c1-13-19(11-22(27)28)14(2)26(25-13)12-16-4-6-17(7-5-16)15(3)29-18-8-9-20(23)21(24)10-18/h4-10,15H,11-12H2,1-3H3,(H,27,28)
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| InChIKey |
YWNSXZKDAXJJMB-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