General Information of the Compound
| Compound ID |
CP0378762
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-12-oxatetracyclo[8.5.2.24,7.011,15]nonadeca-1(15),4,6,10,13,16,18-heptaene-13-carboxamide
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| Structure |
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| Formula |
C34H39N3O3
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| Molecular Weight |
537.704
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4CCc5ccc(CCc(cc4)c3o2)cc5)CC1
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| InChI |
InChI=1S/C34H39N3O3/c1-39-31-7-3-2-6-30(31)37-22-20-36(21-23-37)19-5-4-18-35-34(38)32-24-29-27-14-12-25-8-10-26(11-9-25)13-15-28(17-16-27)33(29)40-32/h2-3,6-11,16-17,24H,4-5,12-15,18-23H2,1H3,(H,35,38)
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| InChIKey |
FNHANZYICZUWQM-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor