General Information of the Compound
| Compound ID |
CP0287177
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| Compound Name |
4-Anilinopyrido[3,4-d]pyrimidine 21
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| Structure |
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| Formula |
C20H21BrN6O
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| Molecular Weight |
441.333
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| Canonical SMILES |
CN(C)CCN(C(=O)C=C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C20H21BrN6O/c1-4-19(28)27(9-8-26(2)3)18-11-16-17(12-22-18)23-13-24-20(16)25-15-7-5-6-14(21)10-15/h4-7,10-13H,1,8-9H2,2-3H3,(H,23,24,25)
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| InChIKey |
JXKNVASLVHCEQV-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