General Information of the Compound
| Compound ID |
CP0398133
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| Compound Name |
7-chloro-5-methyl-3-(2-phenylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C20H14ClN3O
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| Molecular Weight |
347.805
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| Canonical SMILES |
CN1Cc2c(ncn2-c2cccc(Cl)c2C1=O)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3
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| InChIKey |
KDMMIKQMHNBKAV-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