General Information of the Compound
| Compound ID |
CP0436488
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| Compound Name |
1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
O=C(Nc1ccncc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H27N5O/c30-24(27-22-10-13-25-14-11-22)26-21-8-6-20(7-9-21)12-15-28-16-18-29(19-17-28)23-4-2-1-3-5-23/h1-11,13-14H,12,15-19H2,(H2,25,26,27,30)
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| InChIKey |
DJMRKPUZZUDMFC-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