General Information of the Compound
| Compound ID |
CP0382677
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| Compound Name |
8-chloro-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,2-a]quinazolin-7-one
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| Structure |
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| Formula |
C12H14ClN3O
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| Molecular Weight |
251.717
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| Canonical SMILES |
Clc1cccc2N3CCCNCC3NC(=O)c12
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| InChI |
InChI=1S/C12H14ClN3O/c13-8-3-1-4-9-11(8)12(17)15-10-7-14-5-2-6-16(9)10/h1,3-4,10,14H,2,5-7H2,(H,15,17)
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| InChIKey |
HRJQEYYNXILSJI-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