General Information of the Compound
| Compound ID |
CP0852996
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)propyl)-2-isopropyl-5-methyl-1-phenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C29H41Cl2N5O
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| Molecular Weight |
546.587
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3nc(C(C)C)n(-c4ccccc4)c3C)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C29H39N5O.2ClH/c1-21(2)28-31-27(24(5)34(28)25-12-7-6-8-13-25)29(35)30-15-10-16-32-17-19-33(20-18-32)26-14-9-11-22(3)23(26)4;;/h6-9,11-14,21H,10,15-20H2,1-5H3,(H,30,35);2*1H
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| InChIKey |
RCOCMICOYJEDIW-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