General Information of the Compound
| Compound ID |
CP0340169
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| Compound Name |
1,4-benzodiazepine-2,5-dione scaffold, 2
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| Structure |
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| Formula |
C28H26Cl2IN3O4
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| Molecular Weight |
666.343
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| Canonical SMILES |
C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
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| InChI |
InChI=1S/C28H26Cl2IN3O4/c1-16(21-11-9-19(30)14-23(21)32)34-26(17-5-7-18(29)8-6-17)28(38)33(13-3-2-4-25(35)36)24-12-10-20(31)15-22(24)27(34)37/h5-12,14-16,26H,2-4,13,32H2,1H3,(H,35,36)/t16-,26+/m1/s1
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| InChIKey |
SAGXSWWCECPDLO-DXPJPUQTSA-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