General Information of the Compound
| Compound ID |
CP0411285
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| Compound Name |
3-(1-octylpyrrolidin-3-yl)phenol
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| Structure |
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| Formula |
C18H29NO
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| Molecular Weight |
275.436
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| Canonical SMILES |
CCCCCCCCN1CCC(C1)c1cccc(O)c1
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| InChI |
InChI=1S/C18H29NO/c1-2-3-4-5-6-7-12-19-13-11-17(15-19)16-9-8-10-18(20)14-16/h8-10,14,17,20H,2-7,11-13,15H2,1H3
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| InChIKey |
INHLBBQJFLVLRB-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor