General Information of the Compound
| Compound ID |
CP0829397
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| Compound Name |
2-(5-methyl-4-(4-(5-(pyridin-4-yl)thiazol-2-yl)piperazine-1-carbonyl)-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 |
C25H27N9O2S
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| Molecular Weight |
517.619
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| Canonical SMILES |
CC.Cc1c(C(=O)N2CCN(c3ncc(-c4ccncc4)s3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H21N9O2S.C2H6/c1-15-17(13-26-32(15)22-27-20(33)18-3-2-8-31(18)28-22)21(34)29-9-11-30(12-10-29)23-25-14-19(35-23)16-4-6-24-7-5-16;1-2/h2-8,13-14H,9-12H2,1H3,(H,27,28,33);1-2H3
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| InChIKey |
VKDGYCVKDMLVLF-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