General Information of the Compound
| Compound ID |
CP0340172
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| Compound Name |
1,4-benzodiazepine-2,5-dione antagonist, 2
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| Structure |
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| Formula |
C24H17Cl2IN2O4
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| Molecular Weight |
595.22
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| Canonical SMILES |
OC(=O)C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H17Cl2IN2O4/c25-15-5-1-13(2-6-15)20(12-21(30)31)29-22(14-3-7-16(26)8-4-14)23(32)28-19-10-9-17(27)11-18(19)24(29)33/h1-11,20,22H,12H2,(H,28,32)(H,30,31)/t20-,22+/m1/s1
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| InChIKey |
UHDVYHWPJKKLPO-IRLDBZIGSA-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