General Information of the Compound
| Compound ID |
CP0503842
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| Compound Name |
US8772323, 70
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| Structure |
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| Formula |
C21H19N3O5
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| Molecular Weight |
393.399
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C21H19N3O5/c1-2-12-10-18(25)23-24-20(12)14-5-8-16-17(9-14)29-21(22-16)13-3-6-15(7-4-13)28-11-19(26)27/h3-9,12H,2,10-11H2,1H3,(H,23,25)(H,26,27)
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| InChIKey |
PTLUFJWWMHMZBW-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