General Information of the Compound
| Compound ID |
CP0470730
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C25H29Cl2N5O
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| Molecular Weight |
486.447
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| Canonical SMILES |
Cc1c(cc(-c2cccnc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C25H29Cl2N5O/c1-18-20(16-23(30(18)2)19-6-4-9-28-17-19)25(33)29-10-5-11-31-12-14-32(15-13-31)22-8-3-7-21(26)24(22)27/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,29,33)
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| InChIKey |
IFDGOHXTIYJDMW-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