General Information of the Compound
| Compound ID |
CP0299657
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| Compound Name |
N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-5-bromoquinoxalin-6-amine
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| Structure |
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| Formula |
C15H16BrN5
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| Molecular Weight |
346.232
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| Canonical SMILES |
Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12
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| InChI |
InChI=1S/C15H16BrN5/c16-13-11(5-6-12-14(13)18-8-7-17-12)21-15-19-9-3-1-2-4-10(9)20-15/h5-10H,1-4H2,(H2,19,20,21)/t9-,10+
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| InChIKey |
MIYQUCZRQJRHHG-AOOOYVTPSA-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