General Information of the Compound
| Compound ID |
CP0486966
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| Compound Name |
N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
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| Structure |
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| Formula |
C29H27N3O
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| Molecular Weight |
433.555
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| Canonical SMILES |
O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H27N3O/c33-29(27-14-8-12-25-11-4-5-13-26(25)27)32(28-15-6-7-18-30-28)22-21-31-19-16-24(17-20-31)23-9-2-1-3-10-23/h1-16,18H,17,19-22H2
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| InChIKey |
NWFGLAPRAYASEM-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