General Information of the Compound
| Compound ID |
CP0011778
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| Compound Name |
2-amino-N-[(1S)-1-[8-(methylamino)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C25H23N7O2
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| Molecular Weight |
453.506
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| Canonical SMILES |
CNc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C25H23N7O2/c1-15(29-24(33)21-22(26)30-31-13-7-12-28-23(21)31)19-14-16-8-6-11-18(27-2)20(16)25(34)32(19)17-9-4-3-5-10-17/h3-15,27H,1-2H3,(H2,26,30)(H,29,33)/t15-/m0/s1
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| InChIKey |
LOTIMJLDARHYPM-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