General Information of the Compound
| Compound ID |
CP0892603
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| Compound Name |
1-(2-Chlorophenyl)-3-(2-(dimethylamino)ethyl)thiourea sulfate
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| Structure |
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| Formula |
C11H18ClN3O4S2
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| Molecular Weight |
355.869
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| Canonical SMILES |
CN(C)CCNC(=S)Nc1ccccc1Cl.O=S(=O)(O)O
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| InChI |
InChI=1S/C11H16ClN3S.H2O4S/c1-15(2)8-7-13-11(16)14-10-6-4-3-5-9(10)12;1-5(2,3)4/h3-6H,7-8H2,1-2H3,(H2,13,14,16);(H2,1,2,3,4)
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| InChIKey |
QGWIGPXHPHRDJV-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