General Information of the Compound
| Compound ID |
CP0847165
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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)-2-hydroxypropyl)-2,5-dimethyl-1Himidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C29H39Cl2N5O4
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| Molecular Weight |
592.568
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| Canonical SMILES |
Cc1cccc(N2CCN(CC(O)CNC(=O)c3nc(C)n(-c4ccc5c(c4)OCCO5)c3C)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C29H37N5O4.2ClH/c1-19-6-5-7-25(20(19)2)33-12-10-32(11-13-33)18-24(35)17-30-29(36)28-21(3)34(22(4)31-28)23-8-9-26-27(16-23)38-15-14-37-26;;/h5-9,16,24,35H,10-15,17-18H2,1-4H3,(H,30,36);2*1H
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| InChIKey |
VJBXPFKNFQRVPS-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