General Information of the Compound
| Compound ID |
CP0853004
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)-2-hydroxypropyl)-1-isobutyl-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C25H41Cl2N5O2
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| Molecular Weight |
514.542
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| Canonical SMILES |
Cc1cccc(N2CCN(CC(O)CNC(=O)c3nc(C)n(CC(C)C)c3C)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C25H39N5O2.2ClH/c1-17(2)15-30-20(5)24(27-21(30)6)25(32)26-14-22(31)16-28-10-12-29(13-11-28)23-9-7-8-18(3)19(23)4;;/h7-9,17,22,31H,10-16H2,1-6H3,(H,26,32);2*1H
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| InChIKey |
DMAYWVDWAYQQNP-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