General Information of the Compound
| Compound ID |
CP0464420
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| Compound Name |
N-tert-butyl-2-chloro-N'-(3-nitrobenzoyl)benzohydrazide
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| Structure |
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| Formula |
C18H18ClN3O4
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| Molecular Weight |
375.812
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| Canonical SMILES |
CC(C)(C)N(NC(=O)c1cccc(c1)[N+]([O-])=O)C(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C18H18ClN3O4/c1-18(2,3)21(17(24)14-9-4-5-10-15(14)19)20-16(23)12-7-6-8-13(11-12)22(25)26/h4-11H,1-3H3,(H,20,23)
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| InChIKey |
JTDKEHXEUNBTEP-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