General Information of the Compound
| Compound ID |
CP0164758
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| Compound Name |
7-[(1R)-2-[2-[3-[3-[(benzylamino)methyl]phenyl]phenyl]ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C31H31N3O3S
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| Molecular Weight |
525.674
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| Canonical SMILES |
O[C@@H](CNCCc1cccc(c1)-c1cccc(CNCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C31H31N3O3S/c35-27-13-12-26(30-29(27)34-31(37)38-30)28(36)20-32-15-14-21-8-4-10-24(16-21)25-11-5-9-23(17-25)19-33-18-22-6-2-1-3-7-22/h1-13,16-17,28,32-33,35-36H,14-15,18-20H2,(H,34,37)/t28-/m0/s1
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| InChIKey |
HXHAEKRMZXMRER-NDEPHWFRSA-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