General Information of the Compound
| Compound ID |
CP0564906
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| Compound Name |
US9242943, 37
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
COc1cnc2c(Nc3cccc(c3)C3(C)COCC(N)=N3)cccc2c1
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| InChI |
InChI=1S/C21H22N4O2/c1-21(13-27-12-19(22)25-21)15-6-4-7-16(10-15)24-18-8-3-5-14-9-17(26-2)11-23-20(14)18/h3-11,24H,12-13H2,1-2H3,(H2,22,25)
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| InChIKey |
IGUZINVHWNCBIH-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