General Information of the Compound
| Compound ID |
CP0381476
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| Compound Name |
3-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propoxy]benzonitrile
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| Structure |
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| Formula |
C21H22Cl2N2O2
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| Molecular Weight |
405.325
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| Canonical SMILES |
Clc1ccc(OC2CCN(CCCOc3cccc(c3)C#N)CC2)cc1Cl
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| InChI |
InChI=1S/C21H22Cl2N2O2/c22-20-6-5-19(14-21(20)23)27-17-7-10-25(11-8-17)9-2-12-26-18-4-1-3-16(13-18)15-24/h1,3-6,13-14,17H,2,7-12H2
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| InChIKey |
AMQPWRCXJRAWTN-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