General Information of the Compound
| Compound ID |
CP0500021
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| Compound Name |
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 2,4,5-trimethylbenzoate
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| Structure |
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| Formula |
C21H26ClNO2
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| Molecular Weight |
359.897
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| Canonical SMILES |
CN(C)CCC(OC(=O)c1cc(C)c(C)cc1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H26ClNO2/c1-14-12-16(3)19(13-15(14)2)21(24)25-20(10-11-23(4)5)17-6-8-18(22)9-7-17/h6-9,12-13,20H,10-11H2,1-5H3
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| InChIKey |
PRHCORHYTJWCNC-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