General Information of the Compound
| Compound ID |
CP0496544
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| Compound Name |
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-(4-phenoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C30H35N3O3
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| Molecular Weight |
485.628
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Oc3ccccc3)cc2)CC1
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| InChI |
InChI=1S/C30H35N3O3/c1-35-29-12-6-5-11-28(29)33-23-21-32(22-24-33)20-8-7-19-31-30(34)18-15-25-13-16-27(17-14-25)36-26-9-3-2-4-10-26/h2-6,9-18H,7-8,19-24H2,1H3,(H,31,34)/b18-15+
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| InChIKey |
VSWBBUWHPLHOIX-OBGWFSINSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor