General Information of the Compound
| Compound ID |
CP0198887
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| Compound Name |
N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide
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| Structure |
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| Formula |
C29H32FN3O2
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| Molecular Weight |
473.592
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| Canonical SMILES |
CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1
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| InChI |
InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)
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| InChIKey |
MNKSLZNPCRRMKJ-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