General Information of the Compound
| Compound ID |
CP0424626
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| Compound Name |
butyl N-(1-phenoxypropan-2-yloxycarbothioyl)-N-phenylcarbamate
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| Structure |
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| Formula |
C21H25NO4S
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| Molecular Weight |
387.501
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| Canonical SMILES |
CCCCOC(=O)N(C(=S)OC(C)COc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C21H25NO4S/c1-3-4-15-24-20(23)22(18-11-7-5-8-12-18)21(27)26-17(2)16-25-19-13-9-6-10-14-19/h5-14,17H,3-4,15-16H2,1-2H3
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| InChIKey |
CWCWLSYNMKNPBB-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