General Information of the Compound
| Compound ID |
CP0473799
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| Compound Name |
2-N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][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 |
C26H32N8O
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| Molecular Weight |
472.597
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| Canonical SMILES |
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc2CCCn12
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| InChI |
InChI=1S/C26H32N8O/c1-6-35-20-13-17(24-33-32-21-8-7-11-34(21)24)9-10-19(20)30-25-27-14-18-12-16(2)29-23(22(18)31-25)28-15-26(3,4)5/h9-10,12-14H,6-8,11,15H2,1-5H3,(H,28,29)(H,27,30,31)
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| InChIKey |
KVBSXCPLSAIKFP-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