General Information of the Compound
| Compound ID |
CP0510704
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| Compound Name |
(propan-2-ylideneamino) N-(4-heptoxyphenyl)carbamate
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| Synonyms |
CHEMBL597294
Propan-2-one O-4-(heptyloxy)phenylcarbamoyl oxime
propan-2-one O-4-(heptyloxy)phenylcarbamoyl oxime
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| Structure |
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| Formula |
C17H26N2O3
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| Molecular Weight |
306.406
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| Canonical SMILES |
CCCCCCCOc1ccc(NC(=O)ON=C(C)C)cc1
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| InChI |
InChI=1S/C17H26N2O3/c1-4-5-6-7-8-13-21-16-11-9-15(10-12-16)18-17(20)22-19-14(2)3/h9-12H,4-8,13H2,1-3H3,(H,18,20)
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| InChIKey |
YXHJSUXZTSOPMI-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
Clinical Information about the Compound
Drug 1 ( Propan-2-one O-4-(heptyloxy)phenylcarbamoyl oxime )
| Drug Name | Propan-2-one O-4-(heptyloxy)phenylcarbamoyl oxime | ||
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