General Information of the Compound
| Compound ID |
CP0099740
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[(2-pyridin-2-ylethylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C25H28N4O3S
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| Molecular Weight |
464.591
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| Canonical SMILES |
O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C25H28N4O3S/c30-21-8-7-20(24-23(21)29-25(32)33-24)22(31)16-27-12-9-17-4-3-5-18(14-17)15-26-13-10-19-6-1-2-11-28-19/h1-8,11,14,22,26-27,30-31H,9-10,12-13,15-16H2,(H,29,32)/t22-/m0/s1
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| InChIKey |
WWEHZPFFGZLBOV-QFIPXVFZSA-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