General Information of the Compound
Compound ID |
CP0497501
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Compound Name |
5-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1,2-dimethylpyrrole-3-carboxamide
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Structure |
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Formula |
C24H34Cl2N4O
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Molecular Weight |
465.469
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Canonical SMILES |
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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InChI |
InChI=1S/C24H34Cl2N4O/c1-17-18(16-21(28(17)5)24(2,3)4)23(31)27-10-7-11-29-12-14-30(15-13-29)20-9-6-8-19(25)22(20)26/h6,8-9,16H,7,10-15H2,1-5H3,(H,27,31)
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InChIKey |
XXOSGQBANRFRIF-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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