General Information of the Compound
| Compound ID |
CP0909318
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| Compound Name |
2-(5-methyl-4-(3-(4-(trifluoromethyl)benzyl)azetidine-1-carbonyl)-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 |
C22H19F3N6O2
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| Molecular Weight |
456.428
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| Canonical SMILES |
Cc1c(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H19F3N6O2/c1-13-17(10-26-31(13)21-27-19(32)18-3-2-8-30(18)28-21)20(33)29-11-15(12-29)9-14-4-6-16(7-5-14)22(23,24)25/h2-8,10,15H,9,11-12H2,1H3,(H,27,28,32)
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| InChIKey |
PWNKRZARTIAXCB-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