General Information of the Compound
| Compound ID |
CP0849203
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| Compound Name |
(Z)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(3,4-dimethoxyphenethyl)-4-phenylbut-3-en-1-amine
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| Structure |
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| Formula |
C28H31NO4
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| Molecular Weight |
445.559
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| Canonical SMILES |
COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC
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| InChI |
InChI=1S/C28H31NO4/c1-30-25-13-11-23(18-27(25)31-2)15-17-29(16-7-6-10-22-8-4-3-5-9-22)20-24-12-14-26-28(19-24)33-21-32-26/h3-6,8-14,18-19H,7,15-17,20-21H2,1-2H3/b10-6-
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| InChIKey |
NDYLNXWFYKIBLT-POHAHGRESA-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