General Information of the Compound
| Compound ID |
CP0509374
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| Compound Name |
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-N-methyl-1-p-tolylcyclopropanecarboxamide
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| Structure |
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| Formula |
C33H38FN3O2
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| Molecular Weight |
527.684
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(C)cc1
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| InChI |
InChI=1S/C33H38FN3O2/c1-24-9-13-28(14-10-24)33(31(39)36(3)22-26-11-15-30(34)16-12-26)21-29(33)23-37-19-17-32(18-20-37,35-25(2)38)27-7-5-4-6-8-27/h4-16,29H,17-23H2,1-3H3,(H,35,38)/t29-,33+/m0/s1
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| InChIKey |
MCBQGSWTDVDPQI-RYCFQHDISA-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