General Information of the Compound
| Compound ID |
CP0435894
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| Compound Name |
N-{4-[(6-{4-[(1S)-1-phenylpropyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
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| Structure |
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| Formula |
C26H28N6O2S
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| Molecular Weight |
488.617
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| Canonical SMILES |
CCC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1
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| InChI |
InChI=1S/C26H28N6O2S/c1-3-20(19-8-5-4-6-9-19)31-12-14-32(15-13-31)23-16-24(28-17-27-23)34-21-10-7-11-22-25(21)30-26(35-22)29-18(2)33/h4-11,16-17,20H,3,12-15H2,1-2H3,(H,29,30,33)
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| InChIKey |
GEOKCXJSXMIFSZ-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