General Information of the Compound
| Compound ID |
CP0014345
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| Compound Name |
4-amino-6-[[(1S)-3-hydroxy-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 |
C20H18N8O2
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| Molecular Weight |
402.418
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| Canonical SMILES |
Nc1ncnc(N[C@@H](CCO)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
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| InChI |
InChI=1S/C20H18N8O2/c21-11-14-17(22)23-12-24-18(14)25-15(8-10-29)19-26-27-9-4-7-16(27)20(30)28(19)13-5-2-1-3-6-13/h1-7,9,12,15,29H,8,10H2,(H3,22,23,24,25)/t15-/m0/s1
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| InChIKey |
GVWHXKSBBIZYGT-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