General Information of the Compound
| Compound ID |
CP0964214
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| Compound Name |
1-(furan-2-ylmethyl)-3-(4-iodophenyl)thiourea
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| Structure |
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| Formula |
C12H11IN2OS
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| Molecular Weight |
358.204
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| Canonical SMILES |
S=C(NCc1ccco1)Nc1ccc(I)cc1
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| InChI |
InChI=1S/C12H11IN2OS/c13-9-3-5-10(6-4-9)15-12(17)14-8-11-2-1-7-16-11/h1-7H,8H2,(H2,14,15,17)
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| InChIKey |
WKEGIFUZFBNQGN-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