General Information of the Compound
| Compound ID |
CP0428819
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| Compound Name |
Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester
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| Structure |
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| Formula |
C29H28N2O2
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| Molecular Weight |
436.555
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| Canonical SMILES |
O=C(OC1(CCN(CCc2ccccc2)CC1)c1nccc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C29H28N2O2/c32-28(25-12-5-2-6-13-25)33-29(27-26-14-8-7-11-24(26)15-19-30-27)17-21-31(22-18-29)20-16-23-9-3-1-4-10-23/h1-15,19H,16-18,20-22H2
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| InChIKey |
XJAPKZGXYLZNIK-UHFFFAOYSA-N
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| CAS |
62370-78-9
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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