General Information of the Compound
| Compound ID |
CP0443640
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| Compound Name |
(S)-3-Piperidin-3-yl-benzonitrile
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| Structure |
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| Formula |
C12H14N2
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| Molecular Weight |
186.258
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| Canonical SMILES |
N#Cc1cccc(c1)[C@@H]1CCCNC1
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| InChI |
InChI=1S/C12H14N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,9H2/t12-/m1/s1
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| InChIKey |
RDRGDNFLGKTNOF-GFCCVEGCSA-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