General Information of the Compound
| Compound ID |
CP0564480
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| Compound Name |
3-bromo-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-amine
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| Structure |
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| Formula |
C19H18BrN7O2S
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| Molecular Weight |
488.371
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| Canonical SMILES |
CS(=O)(=O)N1CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C19H18BrN7O2S/c1-30(28,29)26-8-6-13(11-26)23-19-22-10-15-17(20)25-27(18(15)24-19)14-4-5-16-12(9-14)3-2-7-21-16/h2-5,7,9-10,13H,6,8,11H2,1H3,(H,22,23,24)/t13-/m1/s1
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| InChIKey |
CLARJVWOEFSGDJ-CYBMUJFWSA-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