General Information of the Compound
| Compound ID |
CP0017287
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| Compound Name |
(3R,4R)-4-[(3S)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-phenylcyclobutyl)piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C29H34N2O4/c1-35-23-8-9-27-25(17-23)24(11-13-30-27)28(32)10-7-20-12-14-31(18-26(20)29(33)34)22-15-21(16-22)19-5-3-2-4-6-19/h2-6,8-9,11,13,17,20-22,26,28,32H,7,10,12,14-16,18H2,1H3,(H,33,34)/t20-,21?,22?,26+,28+/m1/s1
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| InChIKey |
VSLZNKFMVLGHTG-VGXUOWJOSA-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