General Information of the Compound
| Compound ID |
CP0016164
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| Compound Name |
(3R,4R)-1-[3-(2,5-difluorophenyl)cyclobutyl]-4-[(3S)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H32F2N2O4
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| Molecular Weight |
510.581
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| Canonical SMILES |
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2c1
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| InChI |
InChI=1S/C29H32F2N2O4/c1-37-21-4-6-27-24(15-21)22(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)23-14-19(30)3-5-26(23)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1
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| InChIKey |
ZHEWFNDKFYBUDO-SGUQQXKUSA-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