General Information of the Compound
| Compound ID |
CP0470732
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| Compound Name |
5-tert-Butyl-N-(2-(4-(3-chloro-2-methylphenyl)piperazin-1-yl)ethyl)-1,2-dimethyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C24H35ClN4O
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| Molecular Weight |
431.024
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| Canonical SMILES |
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1C
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| InChI |
InChI=1S/C24H35ClN4O/c1-17-20(25)8-7-9-21(17)29-14-12-28(13-15-29)11-10-26-23(30)19-16-22(24(3,4)5)27(6)18(19)2/h7-9,16H,10-15H2,1-6H3,(H,26,30)
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| InChIKey |
IHYPNNNWGXNBMX-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