General Information of the Compound
| Compound ID |
CP0253704
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| Compound Name |
1-(2,3-Dihydro-indol-1-yl)-2-(5,6-diphenyl-[1,2,4]triazin-3-ylsulfanyl)-ethanone
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| Structure |
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| Formula |
C25H20N4OS
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| Molecular Weight |
424.529
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| Canonical SMILES |
O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)N1CCc2ccccc12
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| InChI |
InChI=1S/C25H20N4OS/c30-22(29-16-15-18-9-7-8-14-21(18)29)17-31-25-26-23(19-10-3-1-4-11-19)24(27-28-25)20-12-5-2-6-13-20/h1-14H,15-17H2
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| InChIKey |
VYWVGJDFMVEDFJ-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