General Information of the Compound
| Compound ID |
CP0006811
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| Compound Name |
4-amino-6-[[(1S)-1-(4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C20H18N8O
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| Molecular Weight |
386.419
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| Canonical SMILES |
CC[C@H](Nc1ncnc(N)c1C#N)c1nn2cccc2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C20H18N8O/c1-2-15(25-18-14(11-21)17(22)23-12-24-18)19-26-27-10-6-9-16(27)20(29)28(19)13-7-4-3-5-8-13/h3-10,12,15H,2H2,1H3,(H3,22,23,24,25)/t15-/m0/s1
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| InChIKey |
YEAQFJHFUKZGSD-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