General Information of the Compound
| Compound ID |
CP0478410
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| Compound Name |
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-(3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
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| Structure |
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| Formula |
C24H24N8OS2
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| Molecular Weight |
504.645
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncccn2)n1
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| InChI |
InChI=1S/C24H24N8OS2/c1-14-21(35-15(2)28-14)19-13-34-24(29-19)30-20-7-4-16(10-27-20)22(33)32-17-5-6-18(32)12-31(11-17)23-25-8-3-9-26-23/h3-4,7-10,13,17-18H,5-6,11-12H2,1-2H3,(H,27,29,30)
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| InChIKey |
MEPCMJLUSQTDTR-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