General Information of the Compound
| Compound ID |
CP0496578
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| Compound Name |
(E)-2-(4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-2,3-dihydro-1H-benzo[b][1,4]diazepin-7-yloxy)acetic acid
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| Structure |
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| Formula |
C26H17N3O4
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| Molecular Weight |
435.439
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| Canonical SMILES |
OC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C26H17N3O4/c27-15-18-7-4-8-19(11-18)21-14-25(30)29-22-12-20(10-9-17-5-2-1-3-6-17)24(13-23(22)28-21)33-16-26(31)32/h1-8,11-13H,14,16H2,(H,29,30)(H,31,32)
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| InChIKey |
UPCLTFDFFFRBGN-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