General Information of the Compound
| Compound ID |
CP0443938
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| Compound Name |
3-(2,3-dihydroindol-1-ylmethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C19H17N5S
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| Molecular Weight |
347.447
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| Canonical SMILES |
C(N1CCc2ccccc12)c1nnc2SCC(=Nn12)c1ccccc1
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| InChI |
InChI=1S/C19H17N5S/c1-2-6-14(7-3-1)16-13-25-19-21-20-18(24(19)22-16)12-23-11-10-15-8-4-5-9-17(15)23/h1-9H,10-13H2
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| InChIKey |
XRZGRKMPWSSTAF-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