General Information of the Compound
| Compound ID |
CP0380449
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| Compound Name |
2-[[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-8-yl]methylamino]ethanol
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| Structure |
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| Formula |
C19H23N5O2S
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| Molecular Weight |
385.493
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| Canonical SMILES |
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(CNCCO)ccc-23)s1
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| InChI |
InChI=1S/C19H23N5O2S/c1-12(2)24-18(21-11-22-24)19-23-17-14-4-3-13(10-20-6-7-25)9-15(14)26-8-5-16(17)27-19/h3-4,9,11-12,20,25H,5-8,10H2,1-2H3
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| InChIKey |
XIKOLQVYYSWTKQ-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
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform