General Information of the Compound
| Compound ID |
CP0523815
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| Compound Name |
1,2-Dimethyl-N-(3-(4-(2-methylquinolin-8-yl)piperazin-1-yl)propyl)-5-phenyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C30H35N5O
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| Molecular Weight |
481.644
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc2ccc(C)nc12
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| InChI |
InChI=1S/C30H35N5O/c1-22-13-14-25-11-7-12-27(29(25)32-22)35-19-17-34(18-20-35)16-8-15-31-30(36)26-21-28(33(3)23(26)2)24-9-5-4-6-10-24/h4-7,9-14,21H,8,15-20H2,1-3H3,(H,31,36)
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| InChIKey |
GYTRINPMPBZDFP-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