General Information of the Compound
| Compound ID |
CP0511612
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| Compound Name |
7-(dimethylamino)-8-(2-phenylethynyl)-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C27H22N6O
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| Molecular Weight |
446.514
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| Canonical SMILES |
CN(C)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnn1
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| InChI |
InChI=1S/C27H22N6O/c1-32(2)26-17-25-24(16-21(26)12-11-19-7-4-3-5-8-19)30-27(34)18-23(29-25)20-9-6-10-22(15-20)33-14-13-28-31-33/h3-10,13-17H,18H2,1-2H3,(H,30,34)
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| InChIKey |
AKHVLIYLESRYKL-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