General Information of the Compound
| Compound ID |
CP0379689
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| Compound Name |
1-[(1S,2R,5S)-8-(4,4-diphenylbut-3-enyl)-8-azabicyclo[3.2.1]octan-2-yl]ethanone
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| Structure |
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| Formula |
C25H29NO
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| Molecular Weight |
359.513
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| Canonical SMILES |
CC(=O)[C@@H]1CC[C@H]2CC[C@@H]1N2CCC=C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H29NO/c1-19(27)23-16-14-22-15-17-25(23)26(22)18-8-13-24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-13,22-23,25H,8,14-18H2,1H3/t22-,23-,25-/m0/s1
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| InChIKey |
WRSAFOGQFQCOPC-LSQMVHIFSA-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