General Information of the Compound
| Compound ID |
CP0011200
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| Compound Name |
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-7-carbonitrile
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| Structure |
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| Formula |
C20H15N9O
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| Molecular Weight |
397.402
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nn2c(ccc2c(=O)n1-c1ccccc1)C#N
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| InChI |
InChI=1S/C20H15N9O/c1-12(26-18-15(10-22)17(23)24-11-25-18)19-27-29-14(9-21)7-8-16(29)20(30)28(19)13-5-3-2-4-6-13/h2-8,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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| InChIKey |
IKFBISWCWDKEJI-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