General Information of the Compound
| Compound ID |
CP0947197
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| Compound Name |
2-(4-(4-(5-(4-fluorophenyl)oxazol-2-yl)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 |
C24H21FN8O3
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| Molecular Weight |
488.483
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3ncc(-c4ccc(F)cc4)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H21FN8O3/c1-15-18(13-27-33(15)23-28-21(34)19-3-2-8-32(19)29-23)22(35)30-9-11-31(12-10-30)24-26-14-20(36-24)16-4-6-17(25)7-5-16/h2-8,13-14H,9-12H2,1H3,(H,28,29,34)
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| InChIKey |
KXFSIBNDNICFDT-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