General Information of the Compound
| Compound ID |
CP0039374
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C28H34Cl2N4O
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| Molecular Weight |
513.513
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| Canonical SMILES |
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C28H34Cl2N4O/c1-3-14-34-21(2)23(20-26(34)22-9-5-4-6-10-22)28(35)31-13-8-15-32-16-18-33(19-17-32)25-12-7-11-24(29)27(25)30/h4-7,9-12,20H,3,8,13-19H2,1-2H3,(H,31,35)
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| InChIKey |
QQGJOZLAJLPARG-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