General Information of the Compound
| Compound ID |
CP0913636
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| Compound Name |
(R)-2-(4-(3-((4-chloropyrimidin-2-yloxy)methyl)pyrrolidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C20H19ClN8O3
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| Molecular Weight |
454.878
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| Canonical SMILES |
Cc1c(C(=O)N2CC[C@@H](COc3nccc(Cl)n3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H19ClN8O3/c1-12-14(9-23-29(12)19-25-17(30)15-3-2-7-28(15)26-19)18(31)27-8-5-13(10-27)11-32-20-22-6-4-16(21)24-20/h2-4,6-7,9,13H,5,8,10-11H2,1H3,(H,25,26,30)/t13-/m1/s1
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| InChIKey |
ZKTWHKRCDQSELN-CYBMUJFWSA-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