General Information of the Compound
| Compound ID |
CP0546190
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| Compound Name |
5-[(benzylamino)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 |
C29H29N5O3
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| Molecular Weight |
495.583
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| Canonical SMILES |
COc1cc(Nc2nc(CNCc3ccccc3)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
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| InChI |
InChI=1S/C29H29N5O3/c1-35-24-15-21(16-25(36-2)28(24)37-3)31-29-27-23(26(33-34-27)20-12-8-5-9-13-20)14-22(32-29)18-30-17-19-10-6-4-7-11-19/h4-16,30H,17-18H2,1-3H3,(H,31,32)(H,33,34)
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| InChIKey |
JKSSZSSHEYBEPE-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