General Information of the Compound
| Compound ID |
CP0408428
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| Compound Name |
8-(1,4-diazepan-1-yl)-5-hydroxy-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C13H17N3O3
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| Molecular Weight |
263.297
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| Canonical SMILES |
Oc1ccc(N2CCCNCC2)c2OCC(=O)Nc12
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| InChI |
InChI=1S/C13H17N3O3/c17-10-3-2-9(16-6-1-4-14-5-7-16)13-12(10)15-11(18)8-19-13/h2-3,14,17H,1,4-8H2,(H,15,18)
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| InChIKey |
VKZILFVYTKXRFT-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