General Information of the Compound
| Compound ID |
CP0507164
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| Compound Name |
US8680275, 16
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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 |
COc1cccc(CO)c1C(=O)N1CCC2CN(C2C1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C22H23N3O4/c1-28-19-8-4-5-15(13-26)20(19)21(27)24-10-9-14-11-25(17(14)12-24)22-23-16-6-2-3-7-18(16)29-22/h2-8,14,17,26H,9-13H2,1H3
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| InChIKey |
PSQXKRHIUSUALS-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