General Information of the Compound
| Compound ID |
CP0523746
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| Compound Name |
(E)-N-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-phenylprop-2-enamide
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| Structure |
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| Formula |
C30H35N3O
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| Molecular Weight |
453.63
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| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)\C=C\c1ccccc1
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| InChI |
InChI=1S/C30H35N3O/c34-29(19-18-26-12-4-1-5-13-26)31-20-10-11-21-32-22-24-33(25-23-32)30(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-19,30H,10-11,20-25H2,(H,31,34)/b19-18+
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| InChIKey |
DUIAUYDNVUUFBK-VHEBQXMUSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor