General Information of the Compound
| Compound ID |
CP0515570
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| Compound Name |
N-[1-[3-(4-aminophenyl)-3-(3-fluorophenyl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C31H38FN3O3S
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| Molecular Weight |
551.728
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccc(N)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C31H38FN3O3S/c1-3-35(31(36)21-23-7-13-29(14-8-23)39(2,37)38)28-15-18-34(19-16-28)20-17-30(24-9-11-27(33)12-10-24)25-5-4-6-26(32)22-25/h4-14,22,28,30H,3,15-21,33H2,1-2H3
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| InChIKey |
MRNBXTAEJMPZAH-UHFFFAOYSA-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