General Information of the Compound
| Compound ID |
CP0079350
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[4-[(2-methoxyethylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C21H27N3O4S
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| Molecular Weight |
417.531
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| Canonical SMILES |
COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1
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| InChI |
InChI=1S/C21H27N3O4S/c1-28-11-10-23-12-15-4-2-14(3-5-15)8-9-22-13-18(26)16-6-7-17(25)19-20(16)29-21(27)24-19/h2-7,18,22-23,25-26H,8-13H2,1H3,(H,24,27)/t18-/m0/s1
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| InChIKey |
YZGKJDAFHUVRRH-SFHVURJKSA-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