General Information of the Compound
| Compound ID |
CP0100407
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| Compound Name |
Allyl-[1-(4-benzoimidazol-1-yl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid benzyl ester
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| Structure |
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| Formula |
C33H38N4O2
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| Molecular Weight |
522.693
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| Canonical SMILES |
C=CCN(C1CCN(CCC(Cn2cnc3ccccc23)c2ccccc2)CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C33H38N4O2/c1-2-20-37(33(38)39-25-27-11-5-3-6-12-27)30-18-22-35(23-19-30)21-17-29(28-13-7-4-8-14-28)24-36-26-34-31-15-9-10-16-32(31)36/h2-16,26,29-30H,1,17-25H2
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| InChIKey |
LMLXAFRSRSRFFX-UHFFFAOYSA-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