General Information of the Compound
| Compound ID |
CP0139581
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| Compound Name |
(2,6-dimethylpiperidin-1-yl)-[4-[phenyl-[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]phenyl]methanone
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| Formula |
C36H42N2O
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| Molecular Weight |
518.745
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| Canonical SMILES |
CC1CCCC(C)N1C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1
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| InChI |
InChI=1S/C36H42N2O/c1-26-10-9-11-27(2)38(26)36(39)31-18-16-30(17-19-31)35(29-14-7-4-8-15-29)32-24-33-20-21-34(25-32)37(33)23-22-28-12-5-3-6-13-28/h3-8,12-19,26-27,33-34H,9-11,20-25H2,1-2H3/b35-32-/t26?,27?,33-,34+/m0/s1
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| InChIKey |
VALXHTYNSBIIKC-PXUXUPOGSA-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