General Information of the Compound
| Compound ID |
CP0011320
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| Compound Name |
2-amino-N-[(1S)-1-(8-ethynyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C26H20N6O2
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| Molecular Weight |
448.486
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| Canonical SMILES |
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#C)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C26H20N6O2/c1-3-17-9-7-10-18-15-20(32(26(34)21(17)18)19-11-5-4-6-12-19)16(2)29-25(33)22-23(27)30-31-14-8-13-28-24(22)31/h1,4-16H,2H3,(H2,27,30)(H,29,33)/t16-/m0/s1
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| InChIKey |
ICGMCBFTEXPBTK-INIZCTEOSA-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