General Information of the Compound
| Compound ID |
CP0507603
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| Compound Name |
N-benzyl-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]propyl]phenyl]acetamide
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| Structure |
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| Formula |
C27H33N3O5S
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| Molecular Weight |
511.644
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| Canonical SMILES |
C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C27H33N3O5S/c1-19(28-18-26(32)23-11-12-25(31)24(16-23)30-36(2,34)35)13-21-9-6-10-22(14-21)15-27(33)29-17-20-7-4-3-5-8-20/h3-12,14,16,19,26,28,30-32H,13,15,17-18H2,1-2H3,(H,29,33)/t19-,26+/m1/s1
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| InChIKey |
GCOAKEYCENDCTF-BCHFMIIMSA-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