General Information of the Compound
| Compound ID |
CP0373544
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| Compound Name |
2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7(1H)-one
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| Structure |
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| Formula |
C12H15N3O
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| Molecular Weight |
217.272
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| Canonical SMILES |
O=C1NC2CCNCCN2c2ccccc12
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| InChI |
InChI=1S/C12H15N3O/c16-12-9-3-1-2-4-10(9)15-8-7-13-6-5-11(15)14-12/h1-4,11,13H,5-8H2,(H,14,16)
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| InChIKey |
OCAKADOGXISKBY-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C