General Information of the Compound
| Compound ID |
CP0006296
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| Compound Name |
2-amino-N-[(1S)-1-(8-methoxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C25H22N6O3
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| Molecular Weight |
454.49
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| Canonical SMILES |
COc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C25H22N6O3/c1-15(28-24(32)21-22(26)29-30-13-7-12-27-23(21)30)18-14-16-8-6-11-19(34-2)20(16)25(33)31(18)17-9-4-3-5-10-17/h3-15H,1-2H3,(H2,26,29)(H,28,32)/t15-/m0/s1
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| InChIKey |
XOOLORDUKXZNOY-HNNXBMFYSA-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