General Information of the Compound
| Compound ID |
CP0397474
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| Compound Name |
4-[3-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]phenyl]sulfonylbutanoic acid
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| Structure |
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| Formula |
C27H32Cl2N2O6S
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| Molecular Weight |
583.534
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| Canonical SMILES |
OC(=O)CCCS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C27H32Cl2N2O6S/c28-24-7-6-22(18-25(24)29)37-21-10-14-30(15-11-21)20-8-12-31(13-9-20)27(34)19-3-1-4-23(17-19)38(35,36)16-2-5-26(32)33/h1,3-4,6-7,17-18,20-21H,2,5,8-16H2,(H,32,33)
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| InChIKey |
PDJBLXDNFLXACI-UHFFFAOYSA-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: PT01206, Histamine H1 receptor