General Information of the Compound
| Compound ID |
CP0200171
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| Compound Name |
(+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidinyl-4''-ol
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| Synonyms |
M-iodobenzyltrozamicol
aminobenzovesamicol
compound 11 [PMID: :7702637]
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| Structure |
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| Formula |
C23H29IN2O
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| Molecular Weight |
476.402
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| Canonical SMILES |
O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1
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| InChIKey |
UBVKSFDICLMPLH-DHIUTWEWSA-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
Clinical Information about the Compound