General Information of the Compound
| Compound ID |
CP0760995
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| Compound Name |
2-(5-methyl-4-(5-phenyloctahydropyrrolo[3,4-c]pyrrole-2-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 |
C23H23N7O2
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| Molecular Weight |
429.484
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CN(c4ccccc4)CC3C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H23N7O2/c1-15-19(10-24-30(15)23-25-21(31)20-8-5-9-29(20)26-23)22(32)28-13-16-11-27(12-17(16)14-28)18-6-3-2-4-7-18/h2-10,16-17H,11-14H2,1H3,(H,25,26,31)
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| InChIKey |
DYRVZSPPZGTPFM-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