General Information of the Compound
| Compound ID |
CP0905474
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| Compound Name |
2-(5-methyl-4-(2-methyl-1-pivaloyloctahydropyrrolo[2,3-c]pyrrole-5-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 |
C23H29N7O3
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| Molecular Weight |
451.531
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CC(C)N(C(=O)C(C)(C)C)C3C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H29N7O3/c1-13-9-15-11-27(12-18(15)29(13)21(33)23(3,4)5)20(32)16-10-24-30(14(16)2)22-25-19(31)17-7-6-8-28(17)26-22/h6-8,10,13,15,18H,9,11-12H2,1-5H3,(H,25,26,31)
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| InChIKey |
GLDYLUXMGQHUAM-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