General Information of the Compound
| Compound ID |
CP0503832
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| Compound Name |
US8772323, 214
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCOC)cc1
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| InChI |
InChI=1S/C22H23N3O4/c1-3-14-13-20(26)24-25-21(14)16-6-9-18-19(12-16)29-22(23-18)15-4-7-17(8-5-15)28-11-10-27-2/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,24,26)
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| InChIKey |
QKGMWKSZGSDLOM-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