General Information of the Compound
| Compound ID |
CP0005859
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| Compound Name |
2-amino-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C31H23N7O2
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| Molecular Weight |
525.572
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| Canonical SMILES |
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccn3)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C31H23N7O2/c1-20(35-30(39)27-28(32)36-37-18-8-17-34-29(27)37)25-19-22-10-7-9-21(14-15-23-11-5-6-16-33-23)26(22)31(40)38(25)24-12-3-2-4-13-24/h2-13,16-20H,1H3,(H2,32,36)(H,35,39)/t20-/m0/s1
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| InChIKey |
RYAQYDFEDXGXQC-FQEVSTJZSA-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