General Information of the Compound
| Compound ID |
CP0409510
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| Compound Name |
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-N-methyl-1-(thiophen-2-yl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C30H34FN3O2S
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| Molecular Weight |
519.686
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1cccs1
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| InChI |
InChI=1S/C30H34FN3O2S/c1-22(35)32-29(24-7-4-3-5-8-24)14-16-34(17-15-29)21-25-19-30(25,27-9-6-18-37-27)28(36)33(2)20-23-10-12-26(31)13-11-23/h3-13,18,25H,14-17,19-21H2,1-2H3,(H,32,35)/t25-,30+/m0/s1
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| InChIKey |
MWURBPZQZPKZBT-SETSBSEESA-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