General Information of the Compound
| Compound ID |
CP0894244
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| Compound Name |
N-[1-(4-Chlorophenyl)-4-dimethylaminobutyl]-4-phenylbenzamide oxalate
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| Structure |
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| Formula |
C27H29ClN2O5
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| Molecular Weight |
496.991
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| Canonical SMILES |
CN(C)CCCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H27ClN2O.C2H2O4/c1-28(2)18-6-9-24(21-14-16-23(26)17-15-21)27-25(29)22-12-10-20(11-13-22)19-7-4-3-5-8-19;3-1(4)2(5)6/h3-5,7-8,10-17,24H,6,9,18H2,1-2H3,(H,27,29);(H,3,4)(H,5,6)
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| InChIKey |
FRHNJRGRIAUKRZ-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