General Information of the Compound
| Compound ID |
CP0713502
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| Compound Name |
4-ethyl-1-(1-(6-fluoro-4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperidine-4-carbonitrile
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| Structure |
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| Formula |
C18H18FN7O2
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| Molecular Weight |
383.387
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| Canonical SMILES |
CCC1(C#N)CCN(C(=O)c2cnn(-c3nn4cc(F)cc4c(=O)[nH]3)c2)CC1
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| InChI |
InChI=1S/C18H18FN7O2/c1-2-18(11-20)3-5-24(6-4-18)16(28)12-8-21-26(9-12)17-22-15(27)14-7-13(19)10-25(14)23-17/h7-10H,2-6H2,1H3,(H,22,23,27)
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| InChIKey |
ZPMYIRPITCYZOS-UHFFFAOYSA-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