General Information of the Compound
| Compound ID |
CP0390400
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| Compound Name |
4-[[(1R,2R,3R,5R)-3-[(3R)-3-aminopiperidin-1-yl]-6-oxo-2-bicyclo[3.2.0]heptanyl]oxy]benzonitrile
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| Structure |
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| Formula |
C19H23N3O2
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| Molecular Weight |
325.412
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| Canonical SMILES |
N[C@@H]1CCCN(C1)[C@@H]1C[C@@H]2[C@@H](CC2=O)[C@H]1Oc1ccc(cc1)C#N
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| InChI |
InChI=1S/C19H23N3O2/c20-10-12-3-5-14(6-4-12)24-19-16-9-18(23)15(16)8-17(19)22-7-1-2-13(21)11-22/h3-6,13,15-17,19H,1-2,7-9,11,21H2/t13-,15-,16-,17-,19-/m1/s1
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| InChIKey |
ZHFFQIKHYAWUBX-OAIGWWADSA-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