General Information of the Compound
| Compound ID |
CP0105170
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C27H31N3O4S
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| Molecular Weight |
493.629
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| Canonical SMILES |
COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1
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| InChI |
InChI=1S/C27H31N3O4S/c1-34-24-8-3-2-7-20(24)12-14-28-16-19-6-4-5-18(15-19)11-13-29-17-23(32)21-9-10-22(31)25-26(21)35-27(33)30-25/h2-10,15,23,28-29,31-32H,11-14,16-17H2,1H3,(H,30,33)/t23-/m0/s1
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| InChIKey |
PIQKJCGMILEGLT-QHCPKHFHSA-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