General Information of the Compound
| Compound ID |
CP0114265
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| Compound Name |
5-[3-(6-cyclopentyloxypyridin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
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| Synonyms |
BDBM50061612
CHEMBL3394168
SCHEMBL12614651
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| Structure |
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| Formula |
C20H19N5OS
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| Molecular Weight |
377.473
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| Canonical SMILES |
Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCC4)n3)c2c1
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| InChI |
InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)
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| InChIKey |
PNAYFCPGKVJMMN-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
Clinical Information about the Compound