General Information of the Compound
| Compound ID |
CP0521088
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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]-[2-(hydroxymethyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C24H23F3N8O2S2
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| Molecular Weight |
576.63
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2CCN(CC2CO)c2ncc(cn2)C(F)(F)F)n1
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| InChI |
InChI=1S/C24H23F3N8O2S2/c1-13-20(39-14(2)31-13)18-12-38-23(32-18)33-19-4-3-15(7-28-19)21(37)35-6-5-34(10-17(35)11-36)22-29-8-16(9-30-22)24(25,26)27/h3-4,7-9,12,17,36H,5-6,10-11H2,1-2H3,(H,28,32,33)
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| InChIKey |
ISADQXNPUCSLEP-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