General Information of the Compound
| Compound ID |
CP0438302
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| Compound Name |
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(benzo[d][1,3]dioxol-5-yl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
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| Structure |
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| Formula |
C33H36FN3O4
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| Molecular Weight |
557.666
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C33H36FN3O4/c1-23(38)35-32(25-6-4-3-5-7-25)14-16-37(17-15-32)21-27-19-33(27,26-10-13-29-30(18-26)41-22-40-29)31(39)36(2)20-24-8-11-28(34)12-9-24/h3-13,18,27H,14-17,19-22H2,1-2H3,(H,35,38)/t27-,33+/m0/s1
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| InChIKey |
MBOZEPVQTIVTHO-VCTRWQRLSA-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