General Information of the Compound
| Compound ID |
CP0089233
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| Compound Name |
5-[3-(6-pyrrolidin-1-ylpyridin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C19H18N6S
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| Molecular Weight |
362.462
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| Canonical SMILES |
Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(n3)N3CCCC3)c2c1
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| InChI |
InChI=1S/C19H18N6S/c20-19-24-23-18(26-19)12-6-7-15-13(10-12)14(11-21-15)16-4-3-5-17(22-16)25-8-1-2-9-25/h3-7,10-11,21H,1-2,8-9H2,(H2,20,24)
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| InChIKey |
WHKBERSELXLKHK-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