General Information of the Compound
| Compound ID |
CP0471940
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| Compound Name |
1-(3-(dimethylamino)propyl)-N3-(2,6-dimethylphenyl)-N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C24H29N7
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| Molecular Weight |
415.545
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| Canonical SMILES |
CN(C)CCCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C24H29N7/c1-17-10-8-11-18(2)21(17)27-22-20-16-25-24(26-19-12-6-5-7-13-19)28-23(20)31(29-22)15-9-14-30(3)4/h5-8,10-13,16H,9,14-15H2,1-4H3,(H,27,29)(H,25,26,28)
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| InChIKey |
NCRTTXWMLNQNSD-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