General Information of the Compound
| Compound ID |
CP0248384
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| Compound Name |
7-[(1R)-2-[2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C25H26FN3O3S
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| Molecular Weight |
467.566
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| Canonical SMILES |
O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C25H26FN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1
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| InChIKey |
QFGOTCHUFZRMMD-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