General Information of the Compound
| Compound ID |
CP0897049
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| Compound Name |
2-[4-(9-azatricyclo[6.2.2.0(2,7)]dodeca-2,4,6-trien-9-ylcarbonyl)-5-methyl-1H-pyrazol-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C22H20N6O2
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| Molecular Weight |
400.442
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CCC2c2ccccc23)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H20N6O2/c1-13-17(11-23-28(13)22-24-20(29)19-7-4-10-27(19)25-22)21(30)26-12-14-8-9-18(26)16-6-3-2-5-15(14)16/h2-7,10-11,14,18H,8-9,12H2,1H3,(H,24,25,29)
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| InChIKey |
OBHYBXXNOJTESD-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