General Information of the Compound
| Compound ID |
CP0540131
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| Compound Name |
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-(4-methoxynaphthalen-1-yl)-2-phenylethyl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C28H30N2O5S
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| Molecular Weight |
506.624
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| Canonical SMILES |
COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccccc12
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| InChI |
InChI=1S/C28H30N2O5S/c1-35-28-15-13-22(21-10-6-7-11-23(21)28)24(16-19-8-4-3-5-9-19)29-18-27(32)20-12-14-26(31)25(17-20)30-36(2,33)34/h3-15,17,24,27,29-32H,16,18H2,1-2H3/t24-,27+/m1/s1
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| InChIKey |
GKVZJTQXVQMYBY-SQHAQQRYSA-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