General Information of the Compound
| Compound ID |
CP0496332
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| Compound Name |
5-(4-Hydroxy-4-thiophen-2-yl-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C26H28N2OS
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| Molecular Weight |
416.59
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| Canonical SMILES |
OC1(CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1cccs1
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| InChI |
InChI=1S/C26H28N2OS/c27-21-25(22-9-3-1-4-10-22,23-11-5-2-6-12-23)14-8-17-28-18-15-26(29,16-19-28)24-13-7-20-30-24/h1-7,9-13,20,29H,8,14-19H2
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| InChIKey |
AMWWMOSIDFEYQX-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