General Information of the Compound
| Compound ID |
CP0089230
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| Compound Name |
5-[3-[6-(cyclohexylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
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| Synonyms |
BDBM50061608
CHEMBL3394165
SCHEMBL12696206
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| Structure |
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| Formula |
C20H21N7S
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| Molecular Weight |
391.504
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| Canonical SMILES |
Nc1nnc(s1)-c1ccc2[nH]cc(-c3cncc(NC4CCCCC4)n3)c2c1
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| InChI |
InChI=1S/C20H21N7S/c21-20-27-26-19(28-20)12-6-7-16-14(8-12)15(9-23-16)17-10-22-11-18(25-17)24-13-4-2-1-3-5-13/h6-11,13,23H,1-5H2,(H2,21,27)(H,24,25)
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| InChIKey |
NZRCHCMMQGWKLZ-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