General Information of the Compound
| Compound ID |
CP0378228
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[[4-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C37H35N3O3S2
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| Molecular Weight |
633.839
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(Cc4ccc5ccccc5c4)cs3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C37H35N3O3S2/c41-36(31-7-2-1-3-8-31)25-38-21-20-27-11-16-33(17-12-27)40-45(42,43)35-18-13-28(14-19-35)24-37-39-34(26-44-37)23-29-10-15-30-6-4-5-9-32(30)22-29/h1-19,22,26,36,38,40-41H,20-21,23-25H2/t36-/m0/s1
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| InChIKey |
NMGMJINNEBZSFL-BHVANESWSA-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