General Information of the Compound
| Compound ID |
CP0529342
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| Compound Name |
N2-(4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-2-ethoxyphenyl)-6-methyl-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
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| Structure |
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| Formula |
C25H32N8O
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| Molecular Weight |
460.586
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| Canonical SMILES |
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(C)n1C
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| InChI |
InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-31-16(3)33(23)7)9-10-19(20)29-24-26-13-18-11-15(2)28-22(21(18)30-24)27-14-25(4,5)6/h9-13H,8,14H2,1-7H3,(H,27,28)(H,26,29,30)
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| InChIKey |
OMONHEJVJYRTAT-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