General Information of the Compound
| Compound ID |
CP0502357
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| Compound Name |
1,2-Dimethyl-5-phenyl-N-(3-(4-(quinolin-8-yl)piperazin-1-yl)propyl)-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C29H33N5O
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| Molecular Weight |
467.617
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc2cccnc12
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| InChI |
InChI=1S/C29H33N5O/c1-22-25(21-27(32(22)2)23-9-4-3-5-10-23)29(35)31-15-8-16-33-17-19-34(20-18-33)26-13-6-11-24-12-7-14-30-28(24)26/h3-7,9-14,21H,8,15-20H2,1-2H3,(H,31,35)
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| InChIKey |
HSGTXFOSGPTDRB-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