General Information of the Compound
| Compound ID |
CP0170480
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| Compound Name |
1,4-benzodiazepine-2,5-dione antagonist, 22
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| Structure |
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| Formula |
C29H25ClF3IN2O5
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| Molecular Weight |
700.879
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| Canonical SMILES |
C[C@@H](N1[C@@H](c2ccc(OC(F)(F)F)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H25ClF3IN2O5/c1-17(18-5-9-20(30)10-6-18)36-26(19-7-12-22(13-8-19)41-29(31,32)33)28(40)35(15-3-2-4-25(37)38)24-14-11-21(34)16-23(24)27(36)39/h5-14,16-17,26H,2-4,15H2,1H3,(H,37,38)/t17-,26+/m1/s1
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| InChIKey |
WFRPBCOZTLVAQN-QUGAMOGWSA-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