General Information of the Compound
| Compound ID |
CP0545582
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| Compound Name |
4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
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| Structure |
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| Formula |
C28H25N3O5
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| Molecular Weight |
483.524
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCc2cccc(c2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C28H25N3O5/c1-35-26-10-8-24(9-11-26)28(32)30(18-21-12-14-29-15-13-21)19-22-4-3-7-27(17-22)36-20-23-5-2-6-25(16-23)31(33)34/h2-17H,18-20H2,1H3
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| InChIKey |
CTIDVDPLXAFVRC-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