General Information of the Compound
| Compound ID |
CP0530302
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| Compound Name |
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 |
C23H24N4O5
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| Molecular Weight |
436.468
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| Canonical SMILES |
COC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H24N4O5/c1-31-23(28)26-25-20(8-5-17-11-13-24-14-12-17)16-32-22-9-6-18(7-10-22)19-3-2-4-21(15-19)27(29)30/h2-4,6-7,9-15,20,25H,5,8,16H2,1H3,(H,26,28)
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| InChIKey |
KPZWQRFCBKBLDT-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