General Information of the Compound
| Compound ID |
CP0500432
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| Compound Name |
N-{4-[(6-{4-[(1S)-1-phenylethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
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| Structure |
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| Formula |
C25H26N6O2S
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| Molecular Weight |
474.59
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| Canonical SMILES |
CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1
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| InChI |
InChI=1S/C25H26N6O2S/c1-17(19-7-4-3-5-8-19)30-11-13-31(14-12-30)22-15-23(27-16-26-22)33-20-9-6-10-21-24(20)29-25(34-21)28-18(2)32/h3-10,15-17H,11-14H2,1-2H3,(H,28,29,32)
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| InChIKey |
YAKTZLCCHRJSRU-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