General Information of the Compound
| Compound ID |
CP0571957
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| Compound Name |
tert-butyl 3-[(12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carbonyl)amino]azetidine-1-carboxylate
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| Structure |
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| Formula |
C25H24N4O4
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| Molecular Weight |
444.491
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC(C1)NC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
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| InChI |
InChI=1S/C25H24N4O4/c1-25(2,3)33-24(32)28-13-17(14-28)26-22(30)18-9-6-10-29-21(18)27-20-12-16-8-5-4-7-15(16)11-19(20)23(29)31/h4-12,17H,13-14H2,1-3H3,(H,26,30)
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| InChIKey |
NYZGVKORMKPUQU-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