General Information of the Compound
| Compound ID |
CP0476255
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| Compound Name |
(3R)-1-[4-(3-phenyldiazenylphenyl)but-3-ynyl]piperidine-3-carboxylic acid
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN(CCC#Cc2cccc(c2)\N=N\c2ccccc2)C1
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| InChI |
InChI=1S/C22H23N3O2/c26-22(27)19-10-7-15-25(17-19)14-5-4-8-18-9-6-13-21(16-18)24-23-20-11-2-1-3-12-20/h1-3,6,9,11-13,16,19H,5,7,10,14-15,17H2,(H,26,27)/b24-23+/t19-/m1/s1
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| InChIKey |
ICLXFBQEDLKKEJ-FYTMPNSFSA-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: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3