General Information of the Compound
| Compound ID |
CP0553217
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| Compound Name |
(S)-N-(1-(2-amino-2-phenylacetyl)piperidin-4-yl)-N-phenylpropionamide
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H27N3O2/c1-2-20(26)25(18-11-7-4-8-12-18)19-13-15-24(16-14-19)22(27)21(23)17-9-5-3-6-10-17/h3-12,19,21H,2,13-16,23H2,1H3/t21-/m0/s1
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| InChIKey |
LNQJEDRWNGCZCV-NRFANRHFSA-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