General Information of the Compound
| Compound ID |
CP0947148
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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-1,5-naphthyridine-1(2H)-carboxylate
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| Structure |
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| Formula |
C24H31N7O4
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| Molecular Weight |
481.557
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| Canonical SMILES |
Cc1c(C(=O)N2CCCC3C2CCCN3C(=O)OC(C)(C)C)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H31N7O4/c1-15-16(14-25-31(15)22-26-20(32)19-10-7-13-30(19)27-22)21(33)28-11-5-9-18-17(28)8-6-12-29(18)23(34)35-24(2,3)4/h7,10,13-14,17-18H,5-6,8-9,11-12H2,1-4H3,(H,26,27,32)
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| InChIKey |
JTLKQANUNCSVJS-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