General Information of the Compound
| Compound ID |
CP0375576
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| Compound Name |
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
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| Structure |
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| Formula |
C16H17N5O
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| Molecular Weight |
295.346
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| Canonical SMILES |
CC(C)n1ncnc1-c1cn2CCOc3ccccc3-c2n1
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| InChI |
InChI=1S/C16H17N5O/c1-11(2)21-16(17-10-18-21)13-9-20-7-8-22-14-6-4-3-5-12(14)15(20)19-13/h3-6,9-11H,7-8H2,1-2H3
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| InChIKey |
FMFMUUUKWLZXTR-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