General Information of the Compound
| Compound ID |
CP0335130
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| Compound Name |
(2S)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(3-fluorophenyl)propanoic acid
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| Structure |
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| Formula |
C26H31Cl2FN2O3
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| Molecular Weight |
509.449
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| Canonical SMILES |
OC(=O)[C@H](Cc1cccc(F)c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C26H31Cl2FN2O3/c27-23-5-4-22(16-24(23)28)34-21-8-10-30(11-9-21)17-18-6-12-31(13-7-18)25(26(32)33)15-19-2-1-3-20(29)14-19/h1-5,14,16,18,21,25H,6-13,15,17H2,(H,32,33)/t25-/m0/s1
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| InChIKey |
MANRLQSCJCTMOZ-VWLOTQADSA-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