General Information of the Compound
| Compound ID |
CP0745149
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| Compound Name |
3-(2-(4-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperazin-1-yl)thiazol-4-yl)benzonitrile
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| Structure |
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| Formula |
C25H21N9O2S
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| Molecular Weight |
511.571
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3nc(-c4cccc(C#N)c4)cs3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C25H21N9O2S/c1-16-19(14-27-34(16)24-29-22(35)21-6-3-7-33(21)30-24)23(36)31-8-10-32(11-9-31)25-28-20(15-37-25)18-5-2-4-17(12-18)13-26/h2-7,12,14-15H,8-11H2,1H3,(H,29,30,35)
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| InChIKey |
SNWLQRMTIIHCHY-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