General Information of the Compound
| Compound ID |
CP0005406
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| Compound Name |
4-amino-6-[(2S)-4,4-difluoro-2-(4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C21H16F2N8O
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| Molecular Weight |
434.41
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| Canonical SMILES |
Nc1ncnc(N2CC(F)(F)C[C@H]2c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
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| InChI |
InChI=1S/C21H16F2N8O/c22-21(23)9-16(29(11-21)18-14(10-24)17(25)26-12-27-18)19-28-30-8-4-7-15(30)20(32)31(19)13-5-2-1-3-6-13/h1-8,12,16H,9,11H2,(H2,25,26,27)/t16-/m0/s1
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| InChIKey |
GNILGFUJOZHSPR-INIZCTEOSA-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