General Information of the Compound
| Compound ID |
CP0373237
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| Compound Name |
(E)-N-tert-butyl-2-(4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-2,3-dihydro-1H-benzo[b][1,4]diazepin-7-yloxy)acetamide
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| Structure |
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| Formula |
C30H26N4O3
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| Molecular Weight |
490.563
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| Canonical SMILES |
CC(C)(C)NC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C30H26N4O3/c1-30(2,3)34-29(36)19-37-27-16-26-25(15-23(27)13-12-20-8-5-4-6-9-20)33-28(35)17-24(32-26)22-11-7-10-21(14-22)18-31/h4-11,14-16H,17,19H2,1-3H3,(H,33,35)(H,34,36)
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| InChIKey |
MLZUWIXOZSVZKO-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