General Information of the Compound
| Compound ID |
CP0525023
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| Compound Name |
(E)-4-(3-(1-methylpiperazine-4-carbonyl)phenyl)-8-(2-phenylethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C29H26N4O2
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| Molecular Weight |
462.553
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C29H26N4O2/c1-32-14-16-33(17-15-32)29(35)24-9-5-8-23(19-24)26-20-28(34)31-27-18-22(12-13-25(27)30-26)11-10-21-6-3-2-4-7-21/h2-9,12-13,18-19H,14-17,20H2,1H3,(H,31,34)
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| InChIKey |
RUYQROVMPDWUPI-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