General Information of the Compound
| Compound ID |
CP0468710
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| Compound Name |
9-chloro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine
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| Structure |
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| Formula |
C15H15ClN6O
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| Molecular Weight |
330.779
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| Canonical SMILES |
CC(C)n1ncnc1-c1nc2-c3ccc(Cl)cc3OCCn2n1
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| InChI |
InChI=1S/C15H15ClN6O/c1-9(2)22-15(17-8-18-22)13-19-14-11-4-3-10(16)7-12(11)23-6-5-21(14)20-13/h3-4,7-9H,5-6H2,1-2H3
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| InChIKey |
UXNCNBABSKOOFR-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