General Information of the Compound
| Compound ID |
CP0483184
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| Compound Name |
CHEMBL4559088
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| Formula |
C28H22N6O2
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| Molecular Weight |
474.524
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| Canonical SMILES |
COc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C28H22N6O2/c1-36-21-14-12-19(13-15-21)24-26(30-22-16-17-29-32-22)31-27-23(18-8-4-2-5-9-18)25(33-34(27)28(24)35)20-10-6-3-7-11-20/h2-17,31H,1H3,(H2,29,30,32)
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| InChIKey |
ATPIYUHMIDIKFK-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