General Information of the Compound
| Compound ID |
CP0040416
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| Compound Name |
2-methyl-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C27H29N5OS
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| Molecular Weight |
471.63
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| Canonical SMILES |
Cc1nc(cs1)C(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1
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| InChI |
InChI=1S/C27H29N5OS/c1-19-9-10-23-24(28-19)7-4-8-26(23)32-15-13-31(14-16-32)12-11-21-5-3-6-22(17-21)30-27(33)25-18-34-20(2)29-25/h3-10,17-18H,11-16H2,1-2H3,(H,30,33)
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| InChIKey |
YRAPNFDLJRSFKB-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D