General Information of the Compound
| Compound ID |
CP0768906
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| Compound Name |
2-cyclopropyl-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)acetonitrile
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| Structure |
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| Formula |
C21H23N7O2
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| Molecular Weight |
405.462
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(C#N)C3CC3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H23N7O2/c1-13-17(12-23-28(13)21-24-19(29)18-3-2-8-27(18)25-21)20(30)26-9-6-15(7-10-26)16(11-22)14-4-5-14/h2-3,8,12,14-16H,4-7,9-10H2,1H3,(H,24,25,29)
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| InChIKey |
KQQKHGJZTQTCNV-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