General Information of the Compound
| Compound ID |
CP0969861
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| Compound Name |
6-(8-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl)nicotinonitrile
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| Structure |
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| Formula |
C23H21N9O2
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| Molecular Weight |
455.482
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CN(c2ccc(C#N)cn2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H21N9O2/c1-14-18(11-26-32(14)23-27-21(33)19-3-2-8-30(19)28-23)22(34)31-16-5-6-17(31)13-29(12-16)20-7-4-15(9-24)10-25-20/h2-4,7-8,10-11,16-17H,5-6,12-13H2,1H3,(H,27,28,33)
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| InChIKey |
YKUVSNBDEBYPQQ-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