General Information of the Compound
| Compound ID |
CP0930398
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| Compound Name |
(2R,4S)-2-benzyl-4-hydroxy-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(4-(1-hydroxyethyl)phenylsulfonamido)pentanamide
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| Structure |
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| Formula |
C29H34N2O6S
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| Molecular Weight |
538.666
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| Canonical SMILES |
CC(O)c1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1
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| InChI |
InChI=1S/C29H34N2O6S/c1-19(32)21-11-13-25(14-12-21)38(36,37)30-18-24(33)16-23(15-20-7-3-2-4-8-20)29(35)31-28-26-10-6-5-9-22(26)17-27(28)34/h2-14,19,23-24,27-28,30,32-34H,15-18H2,1H3,(H,31,35)/t19?,23-,24+,27-,28+/m1/s1
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| InChIKey |
DIBLGGIZXXQKJM-VAIQRANESA-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