General Information of the Compound
| Compound ID |
CP0470851
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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]-[(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C24H23F3N8OS2
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| Molecular Weight |
560.631
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1)c1ncc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N8OS2/c1-13-11-34(22-29-9-17(10-30-22)24(25,26)27)6-7-35(13)21(36)16-4-5-19(28-8-16)33-23-32-18(12-37-23)20-14(2)31-15(3)38-20/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,28,32,33)/t13-/m0/s1
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| InChIKey |
ZTRZRVOBPDZZDL-ZDUSSCGKSA-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
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4