General Information of the Compound
| Compound ID |
CP0434338
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylimidazole-4-carboxamide
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| Structure |
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| Formula |
C27H31Cl2N5O3
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| Molecular Weight |
544.483
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| Canonical SMILES |
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)
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| InChIKey |
WKFAPLKCZNAYLA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter