General Information of the Compound
| Compound ID |
CP0313353
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-(2-phenylethylamino)propylsulfanyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C22H29N3O3S2
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| Molecular Weight |
447.626
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| Canonical SMILES |
O[C@@H](CNCCSCCCNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C22H29N3O3S2/c26-18-8-7-17(21-20(18)25-22(28)30-21)19(27)15-24-12-14-29-13-4-10-23-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23-24,26-27H,4,9-15H2,(H,25,28)/t19-/m0/s1
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| InChIKey |
FMRMQJKRHKYSLD-IBGZPJMESA-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