General Information of the Compound
| Compound ID |
CP0335127
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| Compound Name |
(2S)-2-[4-[[4-(4-chloro-3-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)propanoic acid
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| Structure |
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| Formula |
C27H34ClFN2O3
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| Molecular Weight |
489.031
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| Canonical SMILES |
Cc1cc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl
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| InChI |
InChI=1S/C27H34ClFN2O3/c1-19-16-24(6-7-25(19)28)34-23-10-12-30(13-11-23)18-21-8-14-31(15-9-21)26(27(32)33)17-20-2-4-22(29)5-3-20/h2-7,16,21,23,26H,8-15,17-18H2,1H3,(H,32,33)/t26-/m0/s1
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| InChIKey |
HLXZPGHNFUSVMT-SANMLTNESA-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
Protein ID: PT01215, C-C chemokine receptor type 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2