General Information of the Compound
| Compound ID |
CP0441672
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| Compound Name |
(Furan-2-carbonyl)-phenyl-thiocarbamic acid O-phenethyl ester
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| Structure |
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| Formula |
C20H17NO3S
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| Molecular Weight |
351.427
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| Canonical SMILES |
O=C(N(C(=S)OCCc1ccccc1)c1ccccc1)c1ccco1
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| InChI |
InChI=1S/C20H17NO3S/c22-19(18-12-7-14-23-18)21(17-10-5-2-6-11-17)20(25)24-15-13-16-8-3-1-4-9-16/h1-12,14H,13,15H2
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| InChIKey |
MQDMRGAFVCZTEC-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