General Information of the Compound
| Compound ID |
CP0419148
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| Compound Name |
1-(3-methoxy-3-methylbutyl)-N3,N6-diphenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C23H26N6O
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| Molecular Weight |
402.502
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| Canonical SMILES |
COC(C)(C)CCn1nc(Nc2ccccc2)c2cnc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C23H26N6O/c1-23(2,30-3)14-15-29-21-19(20(28-29)25-17-10-6-4-7-11-17)16-24-22(27-21)26-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3,(H,25,28)(H,24,26,27)
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| InChIKey |
GPWSEJBSHLTMLT-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