General Information of the Compound
| Compound ID |
CP0844940
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| Compound Name |
5-tert-Butyl-N-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)-1,2-dimethyl-1H-pyrrole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C23H33Cl3N4O
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| Molecular Weight |
487.903
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| Canonical SMILES |
Cc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(C(C)(C)C)n1C.Cl
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| InChI |
InChI=1S/C23H32Cl2N4O.ClH/c1-16-17(15-20(27(16)5)23(2,3)4)22(30)26-9-10-28-11-13-29(14-12-28)19-8-6-7-18(24)21(19)25;/h6-8,15H,9-14H2,1-5H3,(H,26,30);1H
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| InChIKey |
PTHKODBAQNKPNK-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter