General Information of the Compound
| Compound ID |
CP0855722
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| Compound Name |
N-(1,1-Dimethylethyl)-N'-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)urea
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| Structure |
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| Formula |
C27H35N5O
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| Molecular Weight |
445.611
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| Canonical SMILES |
Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)NC(C)(C)C)c4)CC3)cccc2n1
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| InChI |
InChI=1S/C27H35N5O/c1-20-11-12-23-24(28-20)9-6-10-25(23)32-17-15-31(16-18-32)14-13-21-7-5-8-22(19-21)29-26(33)30-27(2,3)4/h5-12,19H,13-18H2,1-4H3,(H2,29,30,33)
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| InChIKey |
LSVBOYKPMJAFOW-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