General Information of the Compound
| Compound ID |
CP0371935
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[[4-(2-phenylethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C34H35N3O3S2
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| Molecular Weight |
597.806
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(CCc4ccccc4)cs3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C34H35N3O3S2/c38-33(29-9-5-2-6-10-29)24-35-22-21-27-11-16-30(17-12-27)37-42(39,40)32-19-14-28(15-20-32)23-34-36-31(25-41-34)18-13-26-7-3-1-4-8-26/h1-12,14-17,19-20,25,33,35,37-38H,13,18,21-24H2/t33-/m0/s1
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| InChIKey |
WESYVJWTVCWXOW-XIFFEERXSA-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