General Information of the Compound
| Compound ID |
CP0847156
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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-phenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C34H41Cl2N5O3
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| Molecular Weight |
638.64
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4ccccc4)n(-c4ccc5c(c4)OCCO5)c3C)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C34H39N5O3.2ClH/c1-24-9-7-12-29(25(24)2)38-19-17-37(18-20-38)16-8-15-35-34(40)32-26(3)39(33(36-32)27-10-5-4-6-11-27)28-13-14-30-31(23-28)42-22-21-41-30;;/h4-7,9-14,23H,8,15-22H2,1-3H3,(H,35,40);2*1H
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| InChIKey |
BJGUUWDWWRFFOD-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