General Information of the Compound
| Compound ID |
CP0492871
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| Compound Name |
N-{4-[(6-{4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
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| Structure |
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| Formula |
C25H25FN6O2S
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| Molecular Weight |
492.58
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| Canonical SMILES |
CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1cccc(F)c1
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| InChI |
InChI=1S/C25H25FN6O2S/c1-16(18-5-3-6-19(26)13-18)31-9-11-32(12-10-31)22-14-23(28-15-27-22)34-20-7-4-8-21-24(20)30-25(35-21)29-17(2)33/h3-8,13-16H,9-12H2,1-2H3,(H,29,30,33)
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| InChIKey |
CBSJIXIPUARMRT-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