General Information of the Compound
| Compound ID |
CP0485521
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| Compound Name |
4-[[(1S,2R,3R,4R,6R,7S)-4-[(3R)-3-aminopiperidin-1-yl]-9-oxo-3-tricyclo[5.2.1.02,6]decanyl]oxy]benzonitrile
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
N[C@@H]1CCCN(C1)[C@@H]1C[C@@H]2[C@H]3C[C@@H]([C@@H]2[C@H]1Oc1ccc(cc1)C#N)C(=O)C3
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| InChI |
InChI=1S/C22H27N3O2/c23-11-13-3-5-16(6-4-13)27-22-19(25-7-1-2-15(24)12-25)10-17-14-8-18(21(17)22)20(26)9-14/h3-6,14-15,17-19,21-22H,1-2,7-10,12,24H2/t14-,15+,17+,18+,19+,21+,22-/m0/s1
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| InChIKey |
IRQSLZMCJNUIOZ-ILJMKYQKSA-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: PT04958, Short transient receptor potential channel 6
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha