General Information of the Compound
| Compound ID |
CP0453173
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| Compound Name |
1-[1-(3,4-dichlorophenyl)triazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-propylthiourea
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| Structure |
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| Formula |
C18H24Cl2N6OS
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| Molecular Weight |
443.404
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| Canonical SMILES |
CCCNC(=S)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H24Cl2N6OS/c1-2-5-21-18(28)25(7-6-24-8-10-27-11-9-24)17-13-26(23-22-17)14-3-4-15(19)16(20)12-14/h3-4,12-13H,2,5-11H2,1H3,(H,21,28)
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| InChIKey |
WJEUVJYUXSUMEZ-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