General Information of the Compound
| Compound ID |
CP0964688
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| Compound Name |
2-(4-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)-5-methyl-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 |
C21H27N7O3
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| Molecular Weight |
425.493
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| Canonical SMILES |
CC.Cc1c(C(=O)N2CCN(C(=O)C3CC3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H21N7O3.C2H6/c1-12-14(18(29)24-9-7-23(8-10-24)17(28)13-4-5-13)11-20-26(12)19-21-16(27)15-3-2-6-25(15)22-19;1-2/h2-3,6,11,13H,4-5,7-10H2,1H3,(H,21,22,27);1-2H3
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| InChIKey |
FYJZUWRVQUIOQA-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