General Information of the Compound
| Compound ID |
CP0081200
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| Compound Name |
1-ethyl-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea
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| Structure |
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| Formula |
C25H31N5O
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| Molecular Weight |
417.557
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| Canonical SMILES |
CCNC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1
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| InChI |
InChI=1S/C25H31N5O/c1-3-26-25(31)28-21-7-4-6-20(18-21)12-13-29-14-16-30(17-15-29)24-9-5-8-23-22(24)11-10-19(2)27-23/h4-11,18H,3,12-17H2,1-2H3,(H2,26,28,31)
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| InChIKey |
VIPSEWNPWLYICF-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