General Information of the Compound
| Compound ID |
CP0471199
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| Compound Name |
(E)-N-[4-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]butyl]-3-phenylprop-2-enamide
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| Structure |
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| Formula |
C32H39N3O3
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| Molecular Weight |
513.682
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| Canonical SMILES |
COc1ccccc1C(N1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1)c1ccccc1OC
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| InChI |
InChI=1S/C32H39N3O3/c1-37-29-16-8-6-14-27(29)32(28-15-7-9-17-30(28)38-2)35-24-22-34(23-25-35)21-11-10-20-33-31(36)19-18-26-12-4-3-5-13-26/h3-9,12-19,32H,10-11,20-25H2,1-2H3,(H,33,36)/b19-18+
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| InChIKey |
GJFBEHIWIGLENN-VHEBQXMUSA-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