General Information of the Compound
| Compound ID |
CP0569656
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| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C27H33N7O2
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| Molecular Weight |
487.608
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCCN(C)CC3)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C27H33N7O2/c1-33-9-4-10-34(12-11-33)21-7-8-24-25(16-21)28-18-29-27(24)30-26-15-20(31-32-26)6-5-19-13-22(35-2)17-23(14-19)36-3/h7-8,13-18H,4-6,9-12H2,1-3H3,(H2,28,29,30,31,32)
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| InChIKey |
RUTOEDUMQAHEDL-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