General Information of the Compound
| Compound ID |
CP0429864
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| Compound Name |
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C25H29ClN4O
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| Molecular Weight |
436.987
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| Canonical SMILES |
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1)-c1ccccc1
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| InChI |
InChI=1S/C25H29ClN4O/c1-19-23(18-24(28-19)20-7-3-2-4-8-20)25(31)27-11-6-12-29-13-15-30(16-14-29)22-10-5-9-21(26)17-22/h2-5,7-10,17-18,28H,6,11-16H2,1H3,(H,27,31)
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| InChIKey |
HMLUJXHOCKZVCO-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