General Information of the Compound
| Compound ID |
CP0525535
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| Compound Name |
5-[5-[4-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]phenyl]tetrazol-2-yl]pentanoic acid
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| Structure |
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| Formula |
C29H34Cl2N6O4
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| Molecular Weight |
601.535
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| Canonical SMILES |
OC(=O)CCCCn1nnc(n1)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C29H34Cl2N6O4/c30-25-9-8-24(19-26(25)31)41-23-12-17-35(18-13-23)22-10-15-36(16-11-22)29(40)21-6-4-20(5-7-21)28-32-34-37(33-28)14-2-1-3-27(38)39/h4-9,19,22-23H,1-3,10-18H2,(H,38,39)
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| InChIKey |
LGNOCEJCJLXMEA-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