General Information of the Compound
| Compound ID |
CP0316044
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| Compound Name |
(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-methoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C27H34Cl2N2O4
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| Molecular Weight |
521.485
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| Canonical SMILES |
COc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1
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| InChI |
InChI=1S/C27H34Cl2N2O4/c1-34-21-4-2-19(3-5-21)16-26(27(32)33)31-14-8-20(9-15-31)18-30-12-10-22(11-13-30)35-23-6-7-24(28)25(29)17-23/h2-7,17,20,22,26H,8-16,18H2,1H3,(H,32,33)/t26-/m0/s1
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| InChIKey |
RMSWKUOSOVPFPF-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