General Information of the Compound
| Compound ID |
CP0461458
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| Compound Name |
5-(4'-Hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C27H29N3O
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| Molecular Weight |
411.549
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| Canonical SMILES |
OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1cccnc1
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| InChI |
InChI=1S/C27H29N3O/c28-22-26(23-9-3-1-4-10-23,24-11-5-2-6-12-24)14-8-18-30-19-15-27(31,16-20-30)25-13-7-17-29-21-25/h1-7,9-13,17,21,31H,8,14-16,18-20H2
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| InChIKey |
TWGVPKFEWVMONC-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