General Information of the Compound
| Compound ID |
CP0070258
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| Compound Name |
N-benzyl-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C20H18ClN5
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| Molecular Weight |
363.852
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| Canonical SMILES |
ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
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| InChI |
InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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| InChIKey |
SEFWYTXTKMMUEF-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