General Information of the Compound
| Compound ID |
CP0377339
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| Compound Name |
1-[3-((S)-1-Propyl-piperidin-3-yl)-phenyl]-ethanone
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| Structure |
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| Formula |
C16H23NO
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| Molecular Weight |
245.366
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| Canonical SMILES |
CCCN1CCC[C@H](C1)c1cccc(c1)C(C)=O
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| InChI |
InChI=1S/C16H23NO/c1-3-9-17-10-5-8-16(12-17)15-7-4-6-14(11-15)13(2)18/h4,6-7,11,16H,3,5,8-10,12H2,1-2H3/t16-/m1/s1
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| InChIKey |
BBRKEERFZOYHTK-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