General Information of the Compound
| Compound ID |
CP0572008
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| Compound Name |
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-amine
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| Structure |
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| Formula |
C22H20BrN9
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| Molecular Weight |
490.369
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| Canonical SMILES |
Brc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(c3)C3CCNCC3)ncc12
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| InChI |
InChI=1S/C22H20BrN9/c23-20-18-12-26-22(28-15-11-27-31(13-15)16-5-8-24-9-6-16)29-21(18)32(30-20)17-3-4-19-14(10-17)2-1-7-25-19/h1-4,7,10-13,16,24H,5-6,8-9H2,(H,26,28,29)
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| InChIKey |
ISJDMEVRUNCZJN-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