General Information of the Compound
| Compound ID |
CP0475171
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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-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
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| Structure |
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| Formula |
C27H25F3N6OS2
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| Molecular Weight |
570.666
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(cc2)C(F)(F)F)n1
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| InChI |
InChI=1S/C27H25F3N6OS2/c1-15-24(39-16(2)32-15)22-14-38-26(33-22)34-23-10-3-17(11-31-23)25(37)36-20-8-9-21(36)13-35(12-20)19-6-4-18(5-7-19)27(28,29)30/h3-7,10-11,14,20-21H,8-9,12-13H2,1-2H3,(H,31,33,34)
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| InChIKey |
BLHRMWXILPLSFA-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