General Information of the Compound
| Compound ID |
CP0444829
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| Compound Name |
S-[[4-(2,4-dichlorophenyl)-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]] carbamothioate
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| Structure |
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| Formula |
C12H12Cl2N4O2S
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| Molecular Weight |
347.227
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| Canonical SMILES |
NC(=O)Sc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C12H12Cl2N4O2S/c13-7-3-4-9(8(14)6-7)18-10(2-1-5-19)16-17-12(18)21-11(15)20/h3-4,6,19H,1-2,5H2,(H2,15,20)
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| InChIKey |
AAJKETQEGMRTLV-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