General Information of the Compound
| Compound ID |
CP0917282
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| Compound Name |
N-[1-(4-Chlorophenyl)-4-dimethylaminobutyl]benzamide oxalate
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| Structure |
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| Formula |
C21H25ClN2O5
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| Molecular Weight |
420.893
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| Canonical SMILES |
CN(C)CCCC(NC(=O)c1ccccc1)c1ccc(Cl)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C19H23ClN2O.C2H2O4/c1-22(2)14-6-9-18(15-10-12-17(20)13-11-15)21-19(23)16-7-4-3-5-8-16;3-1(4)2(5)6/h3-5,7-8,10-13,18H,6,9,14H2,1-2H3,(H,21,23);(H,3,4)(H,5,6)
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| InChIKey |
BNNFDKDTLYXDQK-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