General Information of the Compound
| Compound ID |
CP0126678
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| Compound Name |
N-(3-bromophenyl)-1-(2-chloro-2-phenylethyl)-6-(2-morpholin-4-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C25H26BrClN6OS
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| Molecular Weight |
573.948
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| Canonical SMILES |
ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
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| InChI |
InChI=1S/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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| InChIKey |
TWWILBWAYDXBCM-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