General Information of the Compound
| Compound ID |
CP0432258
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| Compound Name |
1-[4-(3-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 |
C17H15N3S2
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| Molecular Weight |
325.462
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| Canonical SMILES |
C(Sc1nsnc1C12CN3CC1C2C3)C#Cc1ccccc1
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| InChI |
InChI=1S/C17H15N3S2/c1-2-5-12(6-3-1)7-4-8-21-16-15(18-22-19-16)17-11-20-9-13(17)14(17)10-20/h1-3,5-6,13-14H,8-11H2
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| InChIKey |
YRHXYFPBQSSIPM-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