General Information of the Compound
| Compound ID |
CP0448968
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-phenyl-piperazin-1-yl)-ethyl ester
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| Structure |
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| Formula |
C20H24ClN3O3
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| Molecular Weight |
389.883
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C20H24ClN3O3/c1-26-19-14-18(22)17(21)13-16(19)20(25)27-12-11-23-7-9-24(10-8-23)15-5-3-2-4-6-15/h2-6,13-14H,7-12,22H2,1H3
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| InChIKey |
NILZUNSWBMWMBN-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
Protein ID: PT01307, 5-hydroxytryptamine receptor 4