General Information of the Compound
| Compound ID |
CP0177178
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| Compound Name |
5-[3-[6-(propan-2-ylamino)pyridin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C18H18N6S
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| Molecular Weight |
350.451
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| Canonical SMILES |
CC(C)Nc1cccc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)s1
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| InChI |
InChI=1S/C18H18N6S/c1-10(2)21-16-5-3-4-15(22-16)13-9-20-14-7-6-11(8-12(13)14)17-23-24-18(19)25-17/h3-10,20H,1-2H3,(H2,19,24)(H,21,22)
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| InChIKey |
OLWSXGZFLPJRBT-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