General Information of the Compound
| Compound ID |
CP0399323
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| Compound Name |
N-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]ethyl]-2-phenoxypyridine-3-carboxamide
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| Structure |
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| Formula |
C27H30N4O4
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| Molecular Weight |
474.561
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| Canonical SMILES |
O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
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| InChI |
InChI=1S/C27H30N4O4/c32-26(23-9-6-12-29-27(23)35-21-7-2-1-3-8-21)28-13-14-30-15-17-31(18-16-30)19-22-20-33-24-10-4-5-11-25(24)34-22/h1-12,22H,13-20H2,(H,28,32)
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| InChIKey |
SJTUPIJPFNBFHK-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor