General Information of the Compound
| Compound ID |
CP0495461
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| Compound Name |
(4-Methyl-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester
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| Structure |
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| Formula |
C23H21NO3S
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| Molecular Weight |
391.492
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H21NO3S/c1-18-12-14-19(15-13-18)22(25)24(20-8-4-2-5-9-20)23(28)27-17-16-26-21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
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| InChIKey |
USQWCMZLROBUOZ-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