General Information of the Compound
| Compound ID |
CP0395692
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| Compound Name |
N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-pyridin-2-ylquinoxaline-2-carboxamide
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| Structure |
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| Formula |
C27H25N5O
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| Molecular Weight |
435.531
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| Canonical SMILES |
O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C27H25N5O/c33-27(25-20-29-23-10-4-5-11-24(23)30-25)32(26-12-6-7-15-28-26)19-18-31-16-13-22(14-17-31)21-8-2-1-3-9-21/h1-13,15,20H,14,16-19H2
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| InChIKey |
SOVXXZTYMJJWTR-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