General Information of the Compound
| Compound ID |
CP0423704
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| Compound Name |
(R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
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| Structure |
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| Formula |
C28H32FN3O
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| Molecular Weight |
445.582
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| Canonical SMILES |
N[C@@H](CC(=O)NC1(CCN(Cc2ccccc2)CC1)c1ccccc1)Cc1ccccc1F
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| InChI |
InChI=1S/C28H32FN3O/c29-26-14-8-7-11-23(26)19-25(30)20-27(33)31-28(24-12-5-2-6-13-24)15-17-32(18-16-28)21-22-9-3-1-4-10-22/h1-14,25H,15-21,30H2,(H,31,33)/t25-/m1/s1
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| InChIKey |
PKJYLMFSXBBDNQ-RUZDIDTESA-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