General Information of the Compound
| Compound ID |
CP0371886
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| Compound Name |
(+)-10-methyl-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 |
C13H17N3O
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| Molecular Weight |
231.299
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| Canonical SMILES |
Cc1ccc2C(=O)NC3CCNCCN3c2c1
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| InChI |
InChI=1S/C13H17N3O/c1-9-2-3-10-11(8-9)16-7-6-14-5-4-12(16)15-13(10)17/h2-3,8,12,14H,4-7H2,1H3,(H,15,17)
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| InChIKey |
ZNXTUFJZAOLJDS-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