General Information of the Compound
| Compound ID |
CP0951508
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| Compound Name |
2-(5-methyl-4-(3H-spiro[isobenzofuran-1,4'-piperidine]-1'-ylcarbonyl)-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 |
C23H22N6O3
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| Molecular Weight |
430.468
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H22N6O3/c1-15-17(13-24-29(15)22-25-20(30)19-7-4-10-28(19)26-22)21(31)27-11-8-23(9-12-27)18-6-3-2-5-16(18)14-32-23/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,25,26,30)
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| InChIKey |
SNBATUQBFXAPQV-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