General Information of the Compound
| Compound ID |
CP0403548
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| Compound Name |
(S)-3-(3-Ethynyl-phenyl)-1-propyl-piperidine
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| Structure |
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| Formula |
C16H21N
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| Molecular Weight |
227.351
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| Canonical SMILES |
CCCN1CCC[C@H](C1)c1cccc(c1)C#C
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| InChI |
InChI=1S/C16H21N/c1-3-10-17-11-6-9-16(13-17)15-8-5-7-14(4-2)12-15/h2,5,7-8,12,16H,3,6,9-11,13H2,1H3/t16-/m1/s1
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| InChIKey |
PGAXGWGBGVJKJG-MRXNPFEDSA-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