General Information of the Compound
| Compound ID |
CP0453325
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| Compound Name |
3-[4-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
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| Structure |
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| Formula |
C25H26Cl2N4O4
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| Molecular Weight |
517.413
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| Canonical SMILES |
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)-c2nc(=O)o[nH]2)cc1Cl
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| InChI |
InChI=1S/C25H26Cl2N4O4/c26-21-6-5-20(15-22(21)27)34-19-9-13-30(14-10-19)18-7-11-31(12-8-18)24(32)17-3-1-16(2-4-17)23-28-25(33)35-29-23/h1-6,15,18-19H,7-14H2,(H,28,29,33)
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| InChIKey |
QAXGZLPJWOSHHV-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