General Information of the Compound
| Compound ID |
CP0003941
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| Compound Name |
2-amino-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-phenylethynyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C32H24N6O2
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| Molecular Weight |
524.584
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| Canonical SMILES |
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C32H24N6O2/c1-21(35-31(39)28-29(33)36-37-19-9-18-34-30(28)37)26-20-24-13-8-12-23(17-16-22-10-4-2-5-11-22)27(24)32(40)38(26)25-14-6-3-7-15-25/h2-15,18-21H,1H3,(H2,33,36)(H,35,39)/t21-/m0/s1
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| InChIKey |
COFMJZMEVNTIAY-NRFANRHFSA-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