General Information of the Compound
| Compound ID |
CP0725663
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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)-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C29H39Cl2N5O3
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| Molecular Weight |
576.569
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3nc(C)n(-c4ccc5c(c4)OCCO5)c3C)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C29H37N5O3.2ClH/c1-20-7-5-8-25(21(20)2)33-15-13-32(14-16-33)12-6-11-30-29(35)28-22(3)34(23(4)31-28)24-9-10-26-27(19-24)37-18-17-36-26;;/h5,7-10,19H,6,11-18H2,1-4H3,(H,30,35);2*1H
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| InChIKey |
RBEWBQVBFXYCLE-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter