General Information of the Compound
| Compound ID |
CP0459824
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| Compound Name |
(1S,4R,7S)-2-(cyclohexylmethyl)-5-[(4-phenylphenyl)methyl]-2,5-diazabicyclo[2.2.2]octan-7-ol
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| Structure |
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| Formula |
C26H34N2O
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| Molecular Weight |
390.571
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| Canonical SMILES |
O[C@H]1C[C@@H]2CN(CC3CCCCC3)[C@H]1CN2Cc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H34N2O/c29-26-15-24-18-28(17-20-7-3-1-4-8-20)25(26)19-27(24)16-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h2,5-6,9-14,20,24-26,29H,1,3-4,7-8,15-19H2/t24-,25+,26+/m1/s1
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| InChIKey |
IXTSJHJQHRFZQZ-ZNZIZOMTSA-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