General Information of the Compound
| Compound ID |
CP0408917
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| Compound Name |
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-methoxybenzoate
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| Structure |
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| Formula |
C19H22ClNO3
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| Molecular Weight |
347.842
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| Canonical SMILES |
COc1ccc(cc1)C(=O)OC(CCN(C)C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H22ClNO3/c1-21(2)13-12-18(14-4-8-16(20)9-5-14)24-19(22)15-6-10-17(23-3)11-7-15/h4-11,18H,12-13H2,1-3H3
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| InChIKey |
CYRIGJVBFJYAQD-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