General Information of the Compound
| Compound ID |
CP0057680
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| Compound Name |
6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]-2,7-naphthyridin-1-one
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| Structure |
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| Formula |
C33H36N8O3
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| Molecular Weight |
592.704
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| Canonical SMILES |
CN(C)c1cc2ccn(-c3cccc(-c4cc(Nc5ccc(cn5)N5CCN(C)CC5)c(=O)n(C)c4)c3CO)c(=O)c2cn1
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| InChI |
InChI=1S/C33H36N8O3/c1-37(2)31-17-22-10-11-41(32(43)26(22)19-35-31)29-7-5-6-25(27(29)21-42)23-16-28(33(44)39(4)20-23)36-30-9-8-24(18-34-30)40-14-12-38(3)13-15-40/h5-11,16-20,42H,12-15,21H2,1-4H3,(H,34,36)
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| InChIKey |
MTMDQIGYIOXORW-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