General Information of the Compound
| Compound ID |
CP0920289
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| Compound Name |
4-Benzyl-1-{2-[3-(3-cyano-phenyl)-ureido]-5-hydroxy-benzyl}-1-methyl-piperidinium iodide
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| Structure |
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| Formula |
C28H31IN4O2
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| Molecular Weight |
582.486
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| Canonical SMILES |
C[N+]1(Cc2cc(O)ccc2NC(=O)Nc2cccc(C#N)c2)CCC(Cc2ccccc2)CC1.[I-]
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| InChI |
InChI=1S/C28H30N4O2.HI/c1-32(14-12-22(13-15-32)16-21-6-3-2-4-7-21)20-24-18-26(33)10-11-27(24)31-28(34)30-25-9-5-8-23(17-25)19-29;/h2-11,17-18,22H,12-16,20H2,1H3,(H2-,30,31,33,34);1H
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| InChIKey |
OEJTYPBGZZSMNE-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