General Information of the Compound
| Compound ID |
CP0453960
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| Compound Name |
N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-pyridin-2-ylnaphthalene-2-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)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C29H27N3O/c33-29(27-14-13-24-10-4-5-11-26(24)22-27)32(28-12-6-7-17-30-28)21-20-31-18-15-25(16-19-31)23-8-2-1-3-9-23/h1-15,17,22H,16,18-21H2
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| InChIKey |
NZWVPPWETNVVNT-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