General Information of the Compound
| Compound ID |
CP0088414
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| Compound Name |
5-[3-(6-morpholin-4-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
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| Synonyms |
BDBM50061601
CHEMBL3394073
SCHEMBL12696208
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| Structure |
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| Formula |
C18H17N7OS
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| Molecular Weight |
379.449
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| Canonical SMILES |
Nc1nnc(s1)-c1ccc2[nH]cc(-c3cncc(n3)N3CCOCC3)c2c1
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| InChI |
InChI=1S/C18H17N7OS/c19-18-24-23-17(27-18)11-1-2-14-12(7-11)13(8-21-14)15-9-20-10-16(22-15)25-3-5-26-6-4-25/h1-2,7-10,21H,3-6H2,(H2,19,24)
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| InChIKey |
JHCXRIDGVGVKMB-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