General Information of the Compound
| Compound ID |
CP0200932
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| Compound Name |
4-hydroxy-7-[2-[2-[4-[(2-pyridin-2-ylethylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C25H28N4O2S
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| Molecular Weight |
448.592
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| Canonical SMILES |
Oc1ccc(CCNCCc2ccc(CNCCc3ccccn3)cc2)c2sc(=O)[nH]c12
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| InChI |
InChI=1S/C25H28N4O2S/c30-22-9-8-20(24-23(22)29-25(31)32-24)11-15-26-14-10-18-4-6-19(7-5-18)17-27-16-12-21-3-1-2-13-28-21/h1-9,13,26-27,30H,10-12,14-17H2,(H,29,31)
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| InChIKey |
SPPGZGCXRFURAM-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