General Information of the Compound
| Compound ID |
CP0293951
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| Compound Name |
(E)-3-(2-chlorophenyl)-1-[5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroindol-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C25H29ClN2O3
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| Molecular Weight |
440.971
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| Canonical SMILES |
COc1cc2CCN(C(=O)\C=C\c3ccccc3Cl)c2cc1OCCN1CCCCC1
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| InChI |
InChI=1S/C25H29ClN2O3/c1-30-23-17-20-11-14-28(25(29)10-9-19-7-3-4-8-21(19)26)22(20)18-24(23)31-16-15-27-12-5-2-6-13-27/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3/b10-9+
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| InChIKey |
GDOLOCNGBVYKEO-MDZDMXLPSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C