General Information of the Compound
| Compound ID |
CP0851849
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methyl-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C30H41Cl4N5O4
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| Molecular Weight |
677.501
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| Canonical SMILES |
CCCc1nc(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2.Cl.Cl.Cl
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| InChI |
InChI=1S/C30H38ClN5O4.3ClH/c1-4-6-28-33-29(21(3)36(28)22-9-10-26-27(17-22)40-16-15-39-26)30(38)32-18-23(37)19-34-11-13-35(14-12-34)25-8-5-7-24(31)20(25)2;;;/h5,7-10,17,23,37H,4,6,11-16,18-19H2,1-3H3,(H,32,38);3*1H
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| InChIKey |
SWOBQRROCOYPOH-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