General Information of the Compound
| Compound ID |
CP0941406
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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 tert-butyl ester
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| Formula |
C33H44N4O2
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| Molecular Weight |
528.741
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C33H44N4O2/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)39-32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28-
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| InChIKey |
CWWCVNHXIZBXTP-OUOZDZGXSA-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