General Information of the Compound
| Compound ID |
CP0358127
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| Compound Name |
tert-butyl N-[4-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-4-oxobutyl]carbamate
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| Structure |
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| Formula |
C22H23ClN6O4
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| Molecular Weight |
470.917
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C22H23ClN6O4/c1-22(2,3)33-21(31)24-10-4-7-17(30)26-20-25-15-9-8-13(23)12-14(15)19-27-18(28-29(19)20)16-6-5-11-32-16/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,24,31)(H,25,26,30)
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| InChIKey |
WGFSFQGWINXFDC-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