General Information of the Compound
| Compound ID |
CP0502835
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| Compound Name |
Acetic acid 3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indol-5-yl ester
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC(C)=O)cc23)CC1
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| InChI |
InChI=1S/C25H31N3O3/c1-19(29)31-23-10-11-25-24(17-23)20(18-26-25)5-3-4-12-27-13-15-28(16-14-27)21-6-8-22(30-2)9-7-21/h6-11,17-18,26H,3-5,12-16H2,1-2H3
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| InChIKey |
SPDSMYRGVAEZCP-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