General Information of the Compound
| Compound ID |
CP0940313
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| Compound Name |
exo-(4-{3-[3-(2-Methyl-benzoimidazol-1-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propyl}-4-phenyl-piperidin-1-yl)-phenyl-methanone
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| Formula |
C36H42N4O
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| Molecular Weight |
546.759
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| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CCCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C36H42N4O/c1-27-37-33-15-8-9-16-34(33)40(27)32-25-30-17-18-31(26-32)39(30)22-10-19-36(29-13-6-3-7-14-29)20-23-38(24-21-36)35(41)28-11-4-2-5-12-28/h2-9,11-16,30-32H,10,17-26H2,1H3/t30-,31+,32-
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| InChIKey |
WWGGKYRBPACAIT-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