General Information of the Compound
| Compound ID |
CP0917396
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| Compound Name |
1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-5-methyl-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C31H43Cl2N5O3
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| Molecular Weight |
604.623
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| Canonical SMILES |
CCCc1nc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2.Cl.Cl
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| InChI |
InChI=1S/C31H41N5O3.2ClH/c1-5-8-29-33-30(24(4)36(29)25-11-12-27-28(21-25)39-20-19-38-27)31(37)32-13-7-14-34-15-17-35(18-16-34)26-10-6-9-22(2)23(26)3;;/h6,9-12,21H,5,7-8,13-20H2,1-4H3,(H,32,37);2*1H
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| InChIKey |
KYGICLMSOSRLTJ-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