General Information of the Compound
| Compound ID |
CP0473460
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C27H33Cl2N5O
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| Molecular Weight |
514.501
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| Canonical SMILES |
CCCn1c(C)c(cc1-c1ccncc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C27H33Cl2N5O/c1-3-13-34-20(2)22(19-25(34)21-8-11-30-12-9-21)27(35)31-10-5-14-32-15-17-33(18-16-32)24-7-4-6-23(28)26(24)29/h4,6-9,11-12,19H,3,5,10,13-18H2,1-2H3,(H,31,35)
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| InChIKey |
NWVMDLGDYVSADK-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