General Information of the Compound
| Compound ID |
CP0482451
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| Compound Name |
3-[2-[2-(hydroxymethyl)piperidine-1-carbonyl]indolizin-3-yl]benzonitrile
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
OCC1CCCCN1C(=O)c1cc2ccccn2c1-c1cccc(c1)C#N
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| InChI |
InChI=1S/C22H21N3O2/c23-14-16-6-5-7-17(12-16)21-20(13-18-8-1-3-10-24(18)21)22(27)25-11-4-2-9-19(25)15-26/h1,3,5-8,10,12-13,19,26H,2,4,9,11,15H2
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| InChIKey |
KZZYOAHUNVIUHK-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1