General Information of the Compound
| Compound ID |
CP0477741
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| Compound Name |
3-benzyl-1,5,6,7,8,9-hexahydropyrazino[2,3-d]azepin-2-one
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| Structure |
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| Formula |
C15H17N3O
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| Molecular Weight |
255.321
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| Canonical SMILES |
O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
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| InChI |
InChI=1S/C15H17N3O/c19-15-14(10-11-4-2-1-3-5-11)17-12-6-8-16-9-7-13(12)18-15/h1-5,16H,6-10H2,(H,18,19)
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| InChIKey |
NLVDADQMHYEPPZ-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