General Information of the Compound
| Compound ID |
CP0962071
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| Compound Name |
(3S,5R)-tert-butyl 3,5-dimethyl-4-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C22H29N7O4
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| Molecular Weight |
455.519
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| Canonical SMILES |
Cc1c(C(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H29N7O4/c1-13-11-26(21(32)33-22(4,5)6)12-14(2)28(13)19(31)16-10-23-29(15(16)3)20-24-18(30)17-8-7-9-27(17)25-20/h7-10,13-14H,11-12H2,1-6H3,(H,24,25,30)/t13-,14+
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| InChIKey |
BZHQNHIIIXOBQU-OKILXGFUSA-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