General Information of the Compound
| Compound ID |
CP0761068
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| Compound Name |
2-allyl-2-(1-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperidin-4-yl)pent-4-enenitrile
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| Structure |
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| Formula |
C24H27N7O2
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| Molecular Weight |
445.527
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| Canonical SMILES |
C=CCC(C#N)(CC=C)C1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1
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| InChI |
InChI=1S/C24H27N7O2/c1-4-10-24(16-25,11-5-2)18-8-13-29(14-9-18)22(33)19-15-26-31(17(19)3)23-27-21(32)20-7-6-12-30(20)28-23/h4-7,12,15,18H,1-2,8-11,13-14H2,3H3,(H,27,28,32)
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| InChIKey |
BENSQAHAEFHCPU-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