General Information of the Compound
| Compound ID |
CP0309254
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| Compound Name |
(R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)methyl)-N-(1-(4-methoxyphenyl)ethyl)benzamide
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| Structure |
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| Formula |
C30H34N2O4
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| Molecular Weight |
486.612
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
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| InChI |
InChI=1S/C30H34N2O4/c1-21(25-8-10-27(34-2)11-9-25)31-30(33)26-6-3-22(4-7-26)17-23-13-15-32(16-14-23)19-24-5-12-28-29(18-24)36-20-35-28/h3-12,18,21,23H,13-17,19-20H2,1-2H3,(H,31,33)/t21-/m1/s1
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| InChIKey |
XGHQCOKQRQZBOU-OAQYLSRUSA-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