General Information of the Compound
| Compound ID |
CP0903744
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| Compound Name |
(2R,4S)-2-benzyl-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamido)-4-hydroxy-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
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| Structure |
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| Formula |
C29H32N2O7S
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| Molecular Weight |
552.649
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| Canonical SMILES |
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2
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| InChI |
InChI=1S/C29H32N2O7S/c32-22(18-30-39(35,36)23-10-11-26-27(17-23)38-13-12-37-26)15-21(14-19-6-2-1-3-7-19)29(34)31-28-24-9-5-4-8-20(24)16-25(28)33/h1-11,17,21-22,25,28,30,32-33H,12-16,18H2,(H,31,34)/t21-,22+,25-,28+/m1/s1
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| InChIKey |
LTEHECFVWKWCGD-UBSRYMMFSA-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