General Information of the Compound
| Compound ID |
CP0301033
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| Compound Name |
(2S)-3-(4-cyanophenyl)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoic acid
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| Structure |
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| Formula |
C27H31Cl2N3O3
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| Molecular Weight |
516.469
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C27H31Cl2N3O3/c28-24-6-5-23(16-25(24)29)35-22-9-11-31(12-10-22)18-21-7-13-32(14-8-21)26(27(33)34)15-19-1-3-20(17-30)4-2-19/h1-6,16,21-22,26H,7-15,18H2,(H,33,34)/t26-/m0/s1
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| InChIKey |
VNYAKKUPVDUAEG-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