General Information of the Compound
| Compound ID |
CP0921739
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| Compound Name |
(2R,4S)-2-benzyl-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamido)-4-hydroxy-N-((1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl)pentanamide
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| Structure |
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| Formula |
C30H34N2O7S
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| Molecular Weight |
566.676
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| Canonical SMILES |
CO[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc2c(c1)OCCO2
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| InChI |
InChI=1S/C30H34N2O7S/c1-37-28-17-21-9-5-6-10-25(21)29(28)32-30(34)22(15-20-7-3-2-4-8-20)16-23(33)19-31-40(35,36)24-11-12-26-27(18-24)39-14-13-38-26/h2-12,18,22-23,28-29,31,33H,13-17,19H2,1H3,(H,32,34)/t22-,23+,28+,29+/m1/s1
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| InChIKey |
BYVNRPRZHJGNSB-WGTZDZHJSA-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