General Information of the Compound
| Compound ID |
CP0446391
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| Compound Name |
4-(4-Chloro-phenyl)-1-(4-cyano-4,4-diphenyl-butyl)-4-hydroxy-1-methyl-piperidinium
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| Structure |
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| Formula |
C29H32ClN2O+
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| Molecular Weight |
460.041
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| Canonical SMILES |
C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H32ClN2O/c1-32(21-18-29(33,19-22-32)26-13-15-27(30)16-14-26)20-8-17-28(23-31,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-16,33H,8,17-22H2,1H3/q+1
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| InChIKey |
QZWVLZCHZTWITH-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