General Information of the Compound
| Compound ID |
CP0158376
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| Compound Name |
(2E)-N-[2-(1-azepanyl)ethyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
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| Structure |
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| Formula |
C25H29N3O3S
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| Molecular Weight |
451.592
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| Canonical SMILES |
COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)c1
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| InChI |
InChI=1S/C25H29N3O3S/c1-31-20-8-6-7-18(15-20)16-23-25(30)27-21-17-19(9-10-22(21)32-23)24(29)26-11-14-28-12-4-2-3-5-13-28/h6-10,15-17H,2-5,11-14H2,1H3,(H,26,29)(H,27,30)/b23-16+
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| InChIKey |
UZKQDVQDTPMLND-XQNSMLJCSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8