General Information of the Compound
| Compound ID |
CP0438342
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| Compound Name |
7-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-heptanenitrile
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| Structure |
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| Formula |
C30H33ClN2O
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| Molecular Weight |
473.06
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| Canonical SMILES |
OC1(CCN(CCCCCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H33ClN2O/c31-28-16-14-27(15-17-28)30(34)19-22-33(23-20-30)21-9-3-8-18-29(24-32,25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-2,4-7,10-17,34H,3,8-9,18-23H2
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| InChIKey |
PGCJFXADWFCYPQ-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