General Information of the Compound
| Compound ID |
CP0389291
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| Compound Name |
5-hydroxy-8-(4-propyl-1,4-diazepan-1-yl)-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C16H23N3O3
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| Molecular Weight |
305.378
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| Canonical SMILES |
CCCN1CCCN(CC1)c1ccc(O)c2NC(=O)COc12
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| InChI |
InChI=1S/C16H23N3O3/c1-2-6-18-7-3-8-19(10-9-18)12-4-5-13(20)15-16(12)22-11-14(21)17-15/h4-5,20H,2-3,6-11H2,1H3,(H,17,21)
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| InChIKey |
QLRIUZVNMLEJEJ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor