General Information of the Compound
| Compound ID |
CP0436126
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| Compound Name |
(R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
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| Structure |
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| Formula |
C29H34FN3O
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| Molecular Weight |
459.609
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| Canonical SMILES |
N[C@@H](CC(=O)NC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1)Cc1ccccc1F
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| InChI |
InChI=1S/C29H34FN3O/c30-27-14-8-7-13-25(27)19-26(31)20-28(34)32-29(21-23-9-3-1-4-10-23)15-17-33(18-16-29)22-24-11-5-2-6-12-24/h1-14,26H,15-22,31H2,(H,32,34)/t26-/m1/s1
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| InChIKey |
NTDATDSIMCFNCT-AREMUKBSSA-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