General Information of the Compound
| Compound ID |
CP0441433
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| Compound Name |
1,4-benzodiazepine-2,5-dione antagonist, 17
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| Structure |
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| Formula |
C27H23Cl2IN2O4
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| Molecular Weight |
637.301
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| Canonical SMILES |
OC(=O)CCCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O
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| InChI |
InChI=1S/C27H23Cl2IN2O4/c28-19-8-4-17(5-9-19)16-32-25(18-6-10-20(29)11-7-18)27(36)31(14-2-1-3-24(33)34)23-13-12-21(30)15-22(23)26(32)35/h4-13,15,25H,1-3,14,16H2,(H,33,34)/t25-/m0/s1
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| InChIKey |
RIRQVBKIUJQHPL-VWLOTQADSA-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