General Information of the Compound
| Compound ID |
CP0470731
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| Compound Name |
N-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-phenylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C26H31ClN4O
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| Molecular Weight |
451.014
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1C
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| InChI |
InChI=1S/C26H31ClN4O/c1-19-23(27)10-7-11-24(19)31-16-14-30(15-17-31)13-12-28-26(32)22-18-25(29(3)20(22)2)21-8-5-4-6-9-21/h4-11,18H,12-17H2,1-3H3,(H,28,32)
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| InChIKey |
GOUAXPYSARUMIM-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