General Information of the Compound
| Compound ID |
CP0761083
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| Compound Name |
(1R,6S)-tert-butyl 8-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
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| Structure |
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| Formula |
C22H27N7O4
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| Molecular Weight |
453.503
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| Canonical SMILES |
Cc1c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H27N7O4/c1-13-15(10-23-29(13)20-24-18(30)16-6-5-8-28(16)25-20)19(31)27-11-14-7-9-26(12-17(14)27)21(32)33-22(2,3)4/h5-6,8,10,14,17H,7,9,11-12H2,1-4H3,(H,24,25,30)/t14-,17-/m0/s1
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| InChIKey |
NMVMULUEKYSMRL-YOEHRIQHSA-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