General Information of the Compound
| Compound ID |
CP0501063
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| Compound Name |
methyl N-methyl-N-[[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]amino]carbamate
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| Structure |
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| Formula |
C24H26N4O5
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| Molecular Weight |
450.495
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| Canonical SMILES |
COC(=O)N(C)NC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C24H26N4O5/c1-27(24(29)32-2)26-21(9-6-18-12-14-25-15-13-18)17-33-23-10-7-19(8-11-23)20-4-3-5-22(16-20)28(30)31/h3-5,7-8,10-16,21,26H,6,9,17H2,1-2H3
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| InChIKey |
TYDAPQSVVCOTNN-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