General Information of the Compound
| Compound ID |
CP0155164
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| Compound Name |
Allyl-{1-[4-(2-ethyl-benzoimidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid benzyl ester
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| Structure |
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| Formula |
C35H42N4O2
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| Molecular Weight |
550.747
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| Canonical SMILES |
CCc1nc2ccccc2n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H42N4O2/c1-3-22-38(35(40)41-27-28-13-7-5-8-14-28)31-20-24-37(25-21-31)23-19-30(29-15-9-6-10-16-29)26-39-33-18-12-11-17-32(33)36-34(39)4-2/h3,5-18,30-31H,1,4,19-27H2,2H3
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| InChIKey |
RBVAVRHWTOQOLQ-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