General Information of the Compound
| Compound ID |
CP0372121
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| Compound Name |
3-N-(4-fluoro-2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C30H39FN8O
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| Molecular Weight |
546.695
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| Canonical SMILES |
COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
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| InChI |
InChI=1S/C30H39FN8O/c1-20-17-22(31)18-21(2)26(20)34-27-25-19-32-29(35-28(25)39(36-27)12-11-30(3,4)40-6)33-23-7-9-24(10-8-23)38-15-13-37(5)14-16-38/h7-10,17-19H,11-16H2,1-6H3,(H,34,36)(H,32,33,35)
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| InChIKey |
YUIZGPPZFYCRQD-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