General Information of the Compound
| Compound ID |
CP0500430
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| Compound Name |
N-[4-({6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C19H19F3N6O2S
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| Molecular Weight |
452.462
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC(F)(F)F)CC3)cccc2s1
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| InChI |
InChI=1S/C19H19F3N6O2S/c1-12(29)25-18-26-17-13(3-2-4-14(17)31-18)30-16-9-15(23-11-24-16)28-7-5-27(6-8-28)10-19(20,21)22/h2-4,9,11H,5-8,10H2,1H3,(H,25,26,29)
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| InChIKey |
VGGWAAGNENKOKJ-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