General Information of the Compound
| Compound ID |
CP0470822
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| Compound Name |
N'-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]acetohydrazide
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| Structure |
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| Formula |
C23H24N4O4
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| Molecular Weight |
420.469
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| Canonical SMILES |
CC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H24N4O4/c1-17(28)25-26-21(8-5-18-11-13-24-14-12-18)16-31-23-9-6-19(7-10-23)20-3-2-4-22(15-20)27(29)30/h2-4,6-7,9-15,21,26H,5,8,16H2,1H3,(H,25,28)
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| InChIKey |
XTVWXAJXXHEWEV-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