General Information of the Compound
| Compound ID |
CP0489228
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| Compound Name |
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(4-cyanophenyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
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| Structure |
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| Formula |
C33H35FN4O2
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| Molecular Weight |
538.667
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C33H35FN4O2/c1-24(39)36-32(27-6-4-3-5-7-27)16-18-38(19-17-32)23-29-20-33(29,28-12-8-25(21-35)9-13-28)31(40)37(2)22-26-10-14-30(34)15-11-26/h3-15,29H,16-20,22-23H2,1-2H3,(H,36,39)/t29-,33+/m0/s1
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| InChIKey |
JFENQLAEOJPVHX-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