General Information of the Compound
| Compound ID |
CP0116606
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| Compound Name |
5-[3-(6-ethoxypyridin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C17H15N5OS
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| Molecular Weight |
337.408
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| Canonical SMILES |
CCOc1cccc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)s1
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| InChI |
InChI=1S/C17H15N5OS/c1-2-23-15-5-3-4-14(20-15)12-9-19-13-7-6-10(8-11(12)13)16-21-22-17(18)24-16/h3-9,19H,2H2,1H3,(H2,18,22)
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| InChIKey |
CMNCIJKGYUUTDZ-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