General Information of the Compound
| Compound ID |
CP0467549
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| Compound Name |
5-(4'-Hydroxy-3',4',5',6'-tetrahydro-2'H-[2,4']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)c1ccccn1
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| InChI |
InChI=1S/C27H29N3O/c28-22-26(23-10-3-1-4-11-23,24-12-5-2-6-13-24)15-9-19-30-20-16-27(31,17-21-30)25-14-7-8-18-29-25/h1-8,10-14,18,31H,9,15-17,19-21H2
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| InChIKey |
NHNHEWYPECEYCE-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