General Information of the Compound
| Compound ID |
CP0569956
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| Compound Name |
3-[2-[(2R)-4-[4-(2-ethoxypyrimidin-5-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C24H23F3N6O4S
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| Molecular Weight |
548.547
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| Canonical SMILES |
CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1c2ccccc2oc1=O)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N6O4S/c1-3-36-22-28-10-15(11-29-22)19-20(38-21(30-19)24(25,26)27)31-8-9-32(14(2)12-31)18(34)13-33-16-6-4-5-7-17(16)37-23(33)35/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3/t14-/m1/s1
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| InChIKey |
BMVSBLODQFXGED-CQSZACIVSA-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: PT03433, C-X-C chemokine receptor type 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2