General Information of the Compound
| Compound ID |
CP0001517
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| Compound Name |
N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
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| Structure |
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| Formula |
C18H19N3O4
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| Molecular Weight |
341.367
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| Canonical SMILES |
CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C18H19N3O4/c1-18(2,3)20(19-16(22)13-9-5-4-6-10-13)17(23)14-11-7-8-12-15(14)21(24)25/h4-12H,1-3H3,(H,19,22)
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| InChIKey |
LXCJEBDJFVKIAM-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