General Information of the Compound
| Compound ID |
CP0101912
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| Compound Name |
4-(3-(1H-imidazol-1-yl)phenyl)-8-((4-fluorophenyl)ethynyl)-7-hydroxy-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C26H17FN4O2
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| Molecular Weight |
436.446
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| Canonical SMILES |
Oc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1
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| InChI |
InChI=1S/C26H17FN4O2/c27-20-8-5-17(6-9-20)4-7-19-13-23-24(14-25(19)32)29-22(15-26(33)30-23)18-2-1-3-21(12-18)31-11-10-28-16-31/h1-3,5-6,8-14,16,32H,15H2,(H,30,33)
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| InChIKey |
RFKFAFMEFPSHAN-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