General Information of the Compound
| Compound ID |
CP0276930
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| Compound Name |
1,4-benzodiazepine-2,5-dione antagonist, 24
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| Structure |
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| Formula |
C31H28Cl2N2O4
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| Molecular Weight |
563.481
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| Canonical SMILES |
CC#Cc1ccc2N(CCCCC(O)=O)C(=O)[C@@H](N([C@H](C)c3ccc(Cl)cc3)C(=O)c2c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H28Cl2N2O4/c1-3-6-21-8-17-27-26(19-21)30(38)35(20(2)22-9-13-24(32)14-10-22)29(23-11-15-25(33)16-12-23)31(39)34(27)18-5-4-7-28(36)37/h8-17,19-20,29H,4-5,7,18H2,1-2H3,(H,36,37)/t20-,29+/m1/s1
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| InChIKey |
POKSZIQBBZUBDJ-OLILMLBXSA-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