General Information of the Compound
| Compound ID |
CP0517357
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| Compound Name |
methyl 2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoate
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| Structure |
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| Formula |
C26H27NO3
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| Molecular Weight |
401.506
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(=O)OC)c1ccccc1
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| InChI |
InChI=1S/C26H27NO3/c1-3-4-14-25(28)27(22-10-6-5-7-11-22)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26(29)30-2/h5-13,15-18H,3-4,14,19H2,1-2H3
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| InChIKey |
BCWFKCJJQDOIOO-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