General Information of the Compound
| Compound ID |
CP0391330
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| Compound Name |
2-N-[4-[5-[2-(dimethylamino)ethyl]-4-methyl-1,2,4-triazol-3-yl]-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
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| Structure |
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| Formula |
C28H39N9O
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| Molecular Weight |
517.682
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| Canonical SMILES |
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(CCN(C)C)n1C
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| InChI |
InChI=1S/C28H39N9O/c1-9-38-22-15-19(26-35-34-23(37(26)8)12-13-36(6)7)10-11-21(22)32-27-29-16-20-14-18(2)31-25(24(20)33-27)30-17-28(3,4)5/h10-11,14-16H,9,12-13,17H2,1-8H3,(H,30,31)(H,29,32,33)
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| InChIKey |
OQGWFLXBPGEVIM-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