General Information of the Compound
| Compound ID |
CP0168625
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| Compound Name |
(2Z)-N-[2-(1-azepanyl)ethyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide
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| Structure |
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| Formula |
C24H27N3O2S
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| Molecular Weight |
421.566
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| Canonical SMILES |
O=C(NCCN1CCCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
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| InChI |
InChI=1S/C24H27N3O2S/c28-23(25-12-15-27-13-6-1-2-7-14-27)19-10-11-21-20(17-19)26-24(29)22(30-21)16-18-8-4-3-5-9-18/h3-5,8-11,16-17H,1-2,6-7,12-15H2,(H,25,28)(H,26,29)/b22-16-
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| InChIKey |
TUYMTXTZAYKKPJ-JWGURIENSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor