General Information of the Compound
| Compound ID |
CP0947143
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| Compound Name |
tert-butyl 5-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)octahydro-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
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| Structure |
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| Formula |
C23H29N7O4
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| Molecular Weight |
467.53
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3C(CCN3C(=O)OC(C)(C)C)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H29N7O4/c1-14-16(12-24-30(14)21-25-19(31)18-6-5-9-29(18)26-21)20(32)27-10-8-17-15(13-27)7-11-28(17)22(33)34-23(2,3)4/h5-6,9,12,15,17H,7-8,10-11,13H2,1-4H3,(H,25,26,31)
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| InChIKey |
WOWPEGXVQVHGID-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