General Information of the Compound
| Compound ID |
CP0388308
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| Compound Name |
N-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H28N4O3
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| Molecular Weight |
396.491
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| Canonical SMILES |
O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1
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| InChI |
InChI=1S/C22H28N4O3/c27-22(18-5-3-8-23-15-18)24-9-12-25-10-4-11-26(14-13-25)16-19-17-28-20-6-1-2-7-21(20)29-19/h1-3,5-8,15,19H,4,9-14,16-17H2,(H,24,27)
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| InChIKey |
POCXNIFHHUXWMU-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