General Information of the Compound
| Compound ID |
CP0438863
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| Compound Name |
4-(3-imidazol-1-ylphenyl)-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C29H24N4O3
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| Molecular Weight |
476.536
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| Canonical SMILES |
COCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnc1
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| InChI |
InChI=1S/C29H24N4O3/c1-35-14-15-36-28-18-27-26(17-23(28)11-10-21-6-3-2-4-7-21)32-29(34)19-25(31-27)22-8-5-9-24(16-22)33-13-12-30-20-33/h2-9,12-13,16-18,20H,14-15,19H2,1H3,(H,32,34)
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| InChIKey |
RMNNCRGKNMWAII-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