General Information of the Compound
| Compound ID |
CP0571794
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| Compound Name |
1-[4-(2-aminoethylamino)phenyl]-8-chloro-4-cyclohexyl-3H-1,4-benzodiazepine-2,5-dione
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| Structure |
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| Formula |
C23H27ClN4O2
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| Molecular Weight |
426.948
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| Canonical SMILES |
NCCNc1ccc(cc1)N1c2cc(Cl)ccc2C(=O)N(CC1=O)C1CCCCC1
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| InChI |
InChI=1S/C23H27ClN4O2/c24-16-6-11-20-21(14-16)28(19-9-7-17(8-10-19)26-13-12-25)22(29)15-27(23(20)30)18-4-2-1-3-5-18/h6-11,14,18,26H,1-5,12-13,15,25H2
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| InChIKey |
MQBMWNMCQIYUGF-UHFFFAOYSA-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