General Information of the Compound
| Compound ID |
CP0941408
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| Compound Name |
exo-4-{2-[3-(2-Methyl-benzoimidazol-1-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid benzyl ester
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| Formula |
C36H42N4O2
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| Molecular Weight |
562.758
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
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| InChI |
InChI=1S/C36H42N4O2/c1-27-37-33-14-8-9-15-34(33)40(27)32-24-30-16-17-31(25-32)39(30)23-20-36(29-12-6-3-7-13-29)18-21-38(22-19-36)35(41)42-26-28-10-4-2-5-11-28/h2-15,30-32H,16-26H2,1H3/t30-,31+,32-
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| InChIKey |
MRVLFWHAHZIKHJ-GRJQRVBMSA-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