General Information of the Compound
| Compound ID |
CP0446059
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| Compound Name |
N-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
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| Structure |
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| Formula |
C32H38ClN3O2
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| Molecular Weight |
532.128
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| Canonical SMILES |
COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
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| InChI |
InChI=1S/C32H38ClN3O2/c1-38-31-29(33)5-4-6-30(31)36-21-19-35(20-22-36)18-3-2-17-34-32(37)28-23-26-12-11-24-7-9-25(10-8-24)13-15-27(28)16-14-26/h4-10,14,16,23H,2-3,11-13,15,17-22H2,1H3,(H,34,37)
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| InChIKey |
OWMILJDHSTVDQS-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