General Information of the Compound
| Compound ID |
CP0006770
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| Compound Name |
3-(4-Methoxyphenyl)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C18H14ClN5O
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| Molecular Weight |
351.797
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| Canonical SMILES |
COc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
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| InChI |
InChI=1S/C18H14ClN5O/c1-25-14-7-5-11(6-8-14)16-15-17(20-10-21-18(15)24-23-16)22-13-4-2-3-12(19)9-13/h2-10H,1H3,(H2,20,21,22,23,24)
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| InChIKey |
CNEAVADKWYPXBR-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