General Information of the Compound
| Compound ID |
CP0493219
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[2-[4-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C38H37N3O3S2
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| Molecular Weight |
647.866
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(CCc3nc(Cc4ccc5ccccc5c4)cs3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C38H37N3O3S2/c42-37(32-7-2-1-3-8-32)26-39-23-22-29-11-17-34(18-12-29)41-46(43,44)36-19-13-28(14-20-36)15-21-38-40-35(27-45-38)25-30-10-16-31-6-4-5-9-33(31)24-30/h1-14,16-20,24,27,37,39,41-42H,15,21-23,25-26H2/t37-/m0/s1
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| InChIKey |
JJGWWEDESAXGQO-QNGWXLTQSA-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