General Information of the Compound
| Compound ID |
CP0476521
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| Compound Name |
1-phenyl-3-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]urea
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C25H28N4O/c30-25(26-22-9-3-1-4-10-22)27-23-11-7-8-21(20-23)14-15-28-16-18-29(19-17-28)24-12-5-2-6-13-24/h1-13,20H,14-19H2,(H2,26,27,30)
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| InChIKey |
DOQRWMBJOSFWPI-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: PT01005, D(2) dopamine receptor