General Information of the Compound
| Compound ID |
CP0007188
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| Compound Name |
4-amino-6-[[(1S)-1-(7-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]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 |
C[C@H](Nc1ncnc(N)c1C#N)c1nn2c(C)ccc2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C20H18N8O/c1-12-8-9-16-20(29)27(14-6-4-3-5-7-14)19(26-28(12)16)13(2)25-18-15(10-21)17(22)23-11-24-18/h3-9,11,13H,1-2H3,(H3,22,23,24,25)/t13-/m0/s1
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| InChIKey |
DRRMMQNCJUUQBP-ZDUSSCGKSA-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