General Information of the Compound
| Compound ID |
CP0522124
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| Compound Name |
N-(cyclopropylmethyl)-2-[6-[3-(methylamino)propoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C24H28N4O3
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| Molecular Weight |
420.513
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| Canonical SMILES |
CNCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
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| InChI |
InChI=1S/C24H28N4O3/c1-25-12-5-13-31-19-10-11-21-20(14-19)24(30)28(16-22(29)26-15-17-8-9-17)23(27-21)18-6-3-2-4-7-18/h2-4,6-7,10-11,14,17,25H,5,8-9,12-13,15-16H2,1H3,(H,26,29)
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| InChIKey |
GODROWZWKNTCQM-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