General Information of the Compound
| Compound ID |
CP0453957
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| Compound Name |
N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylquinoxaline-2-carboxamide
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| Structure |
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| Formula |
C26H26N6O
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| Molecular Weight |
438.535
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| Canonical SMILES |
O=C(N(CCN1CCN(CC1)c1ccccc1)c1ccccn1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C26H26N6O/c33-26(24-20-28-22-10-4-5-11-23(22)29-24)32(25-12-6-7-13-27-25)19-16-30-14-17-31(18-15-30)21-8-2-1-3-9-21/h1-13,20H,14-19H2
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| InChIKey |
INOMEJQJASDKAN-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: PT01161, D(4) dopamine receptor