General Information of the Compound
| Compound ID |
CP0184539
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| Compound Name |
N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
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| Structure |
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| Formula |
C20H16ClNO2S
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| Molecular Weight |
369.873
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| Canonical SMILES |
CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
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| InChI |
InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
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| InChIKey |
GMPBOYJSGBEFIG-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