General Information of the Compound
| Compound ID |
CP0530817
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| Compound Name |
8-[2-(4-fluorophenyl)ethynyl]-7-hydroxy-4-[3-[5-(hydroxymethyl)triazol-1-yl]phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C26H18FN5O3
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| Molecular Weight |
467.46
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| Canonical SMILES |
OCc1cnnn1-c1cccc(c1)C1=Nc2cc(O)c(cc2NC(=O)C1)C#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C26H18FN5O3/c27-19-8-5-16(6-9-19)4-7-18-11-23-24(12-25(18)34)29-22(13-26(35)30-23)17-2-1-3-20(10-17)32-21(15-33)14-28-31-32/h1-3,5-6,8-12,14,33-34H,13,15H2,(H,30,35)
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| InChIKey |
MQFUNZCPKOUHQX-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