General Information of the Compound
| Compound ID |
CP0567660
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| Compound Name |
US8772323, 94
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
CCOc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1CC
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| InChI |
InChI=1S/C21H21N3O3/c1-3-13-12-19(25)23-24-20(13)15-7-10-17-18(11-15)27-21(22-17)14-5-8-16(9-6-14)26-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,23,25)
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| InChIKey |
QIDKNGALXYOAKT-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