General Information of the Compound
| Compound ID |
CP0455049
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| Compound Name |
N-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C28H29F3N6O2S
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| Molecular Weight |
570.641
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| Canonical SMILES |
CC(C)CN1CCN(CC1)c1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H29F3N6O2S/c1-17(2)16-36-11-13-37(14-12-36)26-33-21(19-7-9-20(10-8-19)28(29,30)31)15-24(34-26)39-22-5-4-6-23-25(22)35-27(40-23)32-18(3)38/h4-10,15,17H,11-14,16H2,1-3H3,(H,32,35,38)
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| InChIKey |
UQLRUFPUFOVIIF-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