General Information of the Compound
| Compound ID |
CP0420397
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| Compound Name |
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-naphthalen-1-yl-2-phenylethyl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C27H28N2O4S
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| Molecular Weight |
476.598
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H28N2O4S/c1-34(32,33)29-25-17-21(14-15-26(25)30)27(31)18-28-24(16-19-8-3-2-4-9-19)23-13-7-11-20-10-5-6-12-22(20)23/h2-15,17,24,27-31H,16,18H2,1H3/t24-,27+/m1/s1
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| InChIKey |
BXVUSXZDBIYIGC-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