General Information of the Compound
| Compound ID |
CP0006806
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| Compound Name |
4-amino-6-[[(1S)-1-[5-(hydroxymethyl)-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 |
C20H18N8O2
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| Molecular Weight |
402.418
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(CO)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C20H18N8O2/c1-12(25-18-15(9-21)17(22)23-11-24-18)19-26-27-8-7-13(10-29)16(27)20(30)28(19)14-5-3-2-4-6-14/h2-8,11-12,29H,10H2,1H3,(H3,22,23,24,25)/t12-/m0/s1
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| InChIKey |
UMAPOOYHETXZPX-LBPRGKRZSA-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