General Information of the Compound
| Compound ID |
CP0191222
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| Compound Name |
8-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-8-azabicyclo[3.2.1]octan-3-one
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| Structure |
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| Formula |
C21H21N5O2S2
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| Molecular Weight |
439.566
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CC(=O)C3)n1
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| InChI |
InChI=1S/C21H21N5O2S2/c1-11-19(30-12(2)23-11)17-10-29-21(24-17)25-18-6-3-13(9-22-18)20(28)26-14-4-5-15(26)8-16(27)7-14/h3,6,9-10,14-15H,4-5,7-8H2,1-2H3,(H,22,24,25)
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| InChIKey |
SYGVRVVMHWDVPF-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