General Information of the Compound
| Compound ID |
CP0003495
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| Compound Name |
N-tert-butyl-2-chloro-N'-(3-cyanobenzoyl)benzohydrazide
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| Structure |
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| Formula |
C19H18ClN3O2
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| Molecular Weight |
355.825
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| Canonical SMILES |
CC(C)(C)N(NC(=O)c1cccc(c1)C#N)C(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C19H18ClN3O2/c1-19(2,3)23(18(25)15-9-4-5-10-16(15)20)22-17(24)14-8-6-7-13(11-14)12-21/h4-11H,1-3H3,(H,22,24)
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| InChIKey |
UZDVKFJSAQWCIC-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