General Information of the Compound
| Compound ID |
CP0441872
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| Compound Name |
1-{4-[3-(3,5-Dichloro-phenyl)-prop-2-ynylsulfanyl]-[1,2,5]thiadiazol-3-yl}-4-aza-tricyclo[2.2.1.0*2,6*]heptane
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| Structure |
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| Formula |
C17H13Cl2N3S2
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| Molecular Weight |
394.352
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| Canonical SMILES |
Clc1cc(Cl)cc(c1)C#CCSc1nsnc1C12CN3CC1C2C3
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| InChI |
InChI=1S/C17H13Cl2N3S2/c18-11-4-10(5-12(19)6-11)2-1-3-23-16-15(20-24-21-16)17-9-22-7-13(17)14(17)8-22/h4-6,13-14H,3,7-9H2
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| InChIKey |
XGQNOXOBJWAAST-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