General Information of the Compound
| Compound ID |
CP0409920
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| Compound Name |
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole-8-carboxamide
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| Structure |
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| Formula |
C17H17N5O2S
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| Molecular Weight |
355.423
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| Canonical SMILES |
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C(N)=O)s1
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| InChI |
InChI=1S/C17H17N5O2S/c1-9(2)22-16(19-8-20-22)17-21-14-11-4-3-10(15(18)23)7-12(11)24-6-5-13(14)25-17/h3-4,7-9H,5-6H2,1-2H3,(H2,18,23)
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| InChIKey |
XTPGPDAICNYURS-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform