General Information of the Compound
| Compound ID |
CP0498494
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| Compound Name |
Acetic acid 4-{4-[4-(5-methoxy-1H-indol-3-yl)-butyl]-piperazin-1-yl}-phenyl 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 |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC(C)=O)cc3)c2c1
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| InChI |
InChI=1S/C25H31N3O3/c1-19(29)31-22-8-6-21(7-9-22)28-15-13-27(14-16-28)12-4-3-5-20-18-26-25-11-10-23(30-2)17-24(20)25/h6-11,17-18,26H,3-5,12-16H2,1-2H3
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| InChIKey |
FCBAMQJWCNMMEU-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