General Information of the Compound
| Compound ID |
CP0400310
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C27H32Cl2N4O
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| Molecular Weight |
499.486
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| Canonical SMILES |
CCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C27H32Cl2N4O/c1-3-33-20(2)22(19-25(33)21-9-5-4-6-10-21)27(34)30-13-8-14-31-15-17-32(18-16-31)24-12-7-11-23(28)26(24)29/h4-7,9-12,19H,3,8,13-18H2,1-2H3,(H,30,34)
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| InChIKey |
ABKFNWSCLGGDOH-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