General Information of the Compound
| Compound ID |
CP0522469
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| Compound Name |
O-(2-phenoxyethyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate
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| Structure |
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| Formula |
C25H25NO6S
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| Molecular Weight |
467.543
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H25NO6S/c1-28-21-16-18(17-22(29-2)23(21)30-3)24(27)26(19-10-6-4-7-11-19)25(33)32-15-14-31-20-12-8-5-9-13-20/h4-13,16-17H,14-15H2,1-3H3
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| InChIKey |
YKTKIEINEATXQJ-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