General Information of the Compound
| Compound ID |
CP0541312
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| Compound Name |
[6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
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| Structure |
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| Formula |
C25H24F3N9OS
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| Molecular Weight |
555.59
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| Canonical SMILES |
Cc1nn(C)cc1-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
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| InChI |
InChI=1S/C25H24F3N9OS/c1-14-19(12-35(2)34-14)20-13-39-24(32-20)33-21-6-3-15(7-29-21)22(38)37-17-4-5-18(37)11-36(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12-13,17-18H,4-5,10-11H2,1-2H3,(H,29,32,33)
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| InChIKey |
LDIQPRGFEQQDHJ-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