General Information of the Compound
| Compound ID |
CP0373829
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| Compound Name |
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-5-phenylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C29H37ClN4O
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| Molecular Weight |
493.095
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| Canonical SMILES |
CC(C)Cn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C29H37ClN4O/c1-22(2)21-34-23(3)27(20-28(34)24-9-5-4-6-10-24)29(35)31-13-8-14-32-15-17-33(18-16-32)26-12-7-11-25(30)19-26/h4-7,9-12,19-20,22H,8,13-18,21H2,1-3H3,(H,31,35)
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| InChIKey |
AZSKJKSQZWHDOK-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