General Information of the Compound
| Compound ID |
CP0502191
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| Compound Name |
N-[2-[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3,3-dimethyl-N-propan-2-ylbutanamide
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| Structure |
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| Formula |
C28H32FN3O2
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| Molecular Weight |
461.581
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| Canonical SMILES |
CC(C)N(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(F)cc1)C(=O)CC(C)(C)C
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| InChI |
InChI=1S/C28H32FN3O2/c1-19(2)31(25(33)17-28(3,4)5)18-26(34)32-23-10-7-6-9-22(23)30-16-8-11-24(30)27(32)20-12-14-21(29)15-13-20/h6-16,19,27H,17-18H2,1-5H3
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| InChIKey |
JZFTULYYOXZLRD-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