General Information of the Compound
| Compound ID |
CP0546210
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| Compound Name |
5-[[(1-methylpiperidin-4-yl)methylamino]methyl]-3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine
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| Structure |
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| Formula |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
COc1cc(Nc2nc(CNCC3CCN(C)CC3)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
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| InChI |
InChI=1S/C29H36N6O3/c1-35-12-10-19(11-13-35)17-30-18-22-14-23-26(20-8-6-5-7-9-20)33-34-27(23)29(32-22)31-21-15-24(36-2)28(38-4)25(16-21)37-3/h5-9,14-16,19,30H,10-13,17-18H2,1-4H3,(H,31,32)(H,33,34)
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| InChIKey |
BEEPNOPDXUGEBT-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3