General Information of the Compound
| Compound ID |
CP0348944
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| Compound Name |
tert-butyl N-[1-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-1-oxopropan-2-yl]carbamate;methanol
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| Structure |
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| Formula |
C21H21ClN6O4
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| Molecular Weight |
456.89
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| Canonical SMILES |
CC(NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C21H21ClN6O4.CH4O/c1-11(23-20(30)32-21(2,3)4)18(29)26-19-24-14-8-7-12(22)10-13(14)17-25-16(27-28(17)19)15-6-5-9-31-15;1-2/h5-11H,1-4H3,(H,23,30)(H,24,26,29);2H,1H3
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| InChIKey |
NROBMRABQFGRAL-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