General Information of the Compound
| Compound ID |
CP0525766
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| Compound Name |
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine
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| Structure |
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| Formula |
C15H16N6O
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| Molecular Weight |
296.334
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| Canonical SMILES |
CC(C)n1ncnc1-c1nc2CCOc3ccccc3-n2n1
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| InChI |
InChI=1S/C15H16N6O/c1-10(2)20-15(16-9-17-20)14-18-13-7-8-22-12-6-4-3-5-11(12)21(13)19-14/h3-6,9-10H,7-8H2,1-2H3
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| InChIKey |
TWCCJOWGASKGNM-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