General Information of the Compound
| Compound ID |
CP0457253
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| Compound Name |
methyl benzo[b][1]benzazepine-11-carboxylate
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| Structure |
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| Formula |
C16H13NO2
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| Molecular Weight |
251.285
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| Canonical SMILES |
COC(=O)N1c2ccccc2C=Cc2ccccc12
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| InChI |
InChI=1S/C16H13NO2/c1-19-16(18)17-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17/h2-11H,1H3
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| InChIKey |
LYPJVUYYJLQGMG-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT02908, P2X purinoceptor 4