General Information of the Compound
| Compound ID |
CP0962073
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| Compound Name |
tert-butyl 3-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-3,9-diazabicyclo[3.3.1]nonane-9-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)N2CC3CCCC(C2)N3C(=O)OC(C)(C)C)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H29N7O4/c1-14-17(11-24-30(14)21-25-19(31)18-9-6-10-28(18)26-21)20(32)27-12-15-7-5-8-16(13-27)29(15)22(33)34-23(2,3)4/h6,9-11,15-16H,5,7-8,12-13H2,1-4H3,(H,25,26,31)
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| InChIKey |
IYKCPNLCTOXSJZ-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