General Information of the Compound
| Compound ID |
CP0534873
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| Compound Name |
N-[3-[2-[4-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H26F3N7O
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| Molecular Weight |
533.558
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| Canonical SMILES |
CN1CCC(Cn2nc(C#Cc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3c(N)ncnc23)C1
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| InChI |
InChI=1S/C28H26F3N7O/c1-17-6-8-22(35-27(39)20-4-3-5-21(12-20)28(29,30)31)13-19(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)15-18-10-11-37(2)14-18/h3-6,8,12-13,16,18H,10-11,14-15H2,1-2H3,(H,35,39)(H2,32,33,34)
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| InChIKey |
GUBNIHZPFABOER-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