General Information of the Compound
| Compound ID |
CP0439985
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| Compound Name |
1-benzyl-1,2,5,6,7,8-hexahydropyrazolo[4,3-d]azepin-3(4H)-one
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| Structure |
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| Formula |
C14H17N3O
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| Molecular Weight |
243.31
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| Canonical SMILES |
O=c1[nH]n(Cc2ccccc2)c2CCNCCc12
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| InChI |
InChI=1S/C14H17N3O/c18-14-12-6-8-15-9-7-13(12)17(16-14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,16,18)
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| InChIKey |
AQEVTTPQORHLEG-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