General Information of the Compound
| Compound ID |
CP0001653
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| Compound Name |
2-amino-4-[(2S)-2-(5-chloro-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 |
C21H17ClN8O
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| Molecular Weight |
432.875
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| Canonical SMILES |
Nc1ncc(C#N)c(n1)N1CCC[C@H]1c1nn2ccc(Cl)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C21H17ClN8O/c22-15-8-10-29-17(15)20(31)30(14-5-2-1-3-6-14)19(27-29)16-7-4-9-28(16)18-13(11-23)12-25-21(24)26-18/h1-3,5-6,8,10,12,16H,4,7,9H2,(H2,24,25,26)/t16-/m0/s1
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| InChIKey |
NQCGNJZLLGMACO-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