General Information of the Compound
| Compound ID |
CP0845522
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| Compound Name |
1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-tetrahydro-2(1H)-pyrimidinone
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| Structure |
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| Formula |
C26H31N5O
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| Molecular Weight |
429.568
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| Canonical SMILES |
Cc1ccc2c(N3CCN(CCc4cccc(N5CCCNC5=O)c4)CC3)cccc2n1
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| InChI |
InChI=1S/C26H31N5O/c1-20-9-10-23-24(28-20)7-3-8-25(23)30-17-15-29(16-18-30)14-11-21-5-2-6-22(19-21)31-13-4-12-27-26(31)32/h2-3,5-10,19H,4,11-18H2,1H3,(H,27,32)
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| InChIKey |
BCEHGFDIYZMEPU-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