General Information of the Compound
| Compound ID |
CP0498916
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| Compound Name |
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(3,4-dimethylphenyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
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| Structure |
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| Formula |
C34H40FN3O2
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| Molecular Weight |
541.711
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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)c(C)c1
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| InChI |
InChI=1S/C34H40FN3O2/c1-24-10-13-29(20-25(24)2)34(32(40)37(4)22-27-11-14-31(35)15-12-27)21-30(34)23-38-18-16-33(17-19-38,36-26(3)39)28-8-6-5-7-9-28/h5-15,20,30H,16-19,21-23H2,1-4H3,(H,36,39)/t30-,34+/m0/s1
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| InChIKey |
DWYWNTMREHRHJA-BFGHFXMOSA-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