General Information of the Compound
| Compound ID |
CP0962076
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| Compound Name |
2-(5-methyl-4-(3-(trifluoromethyl)-1,4'-bipiperidine-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 |
C22H26F3N7O2
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| Molecular Weight |
477.491
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(N3CCCC(C(F)(F)F)C3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H26F3N7O2/c1-14-17(12-26-32(14)21-27-19(33)18-5-3-9-31(18)28-21)20(34)29-10-6-16(7-11-29)30-8-2-4-15(13-30)22(23,24)25/h3,5,9,12,15-16H,2,4,6-8,10-11,13H2,1H3,(H,27,28,33)
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| InChIKey |
UUGKUJNVFHDREO-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