General Information of the Compound
| Compound ID |
CP0899526
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| Compound Name |
(2R,4S)-2-benzyl-5-(4-chlorophenylsulfonamido)-4-hydroxy-N-((1S,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl)pentanamide
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| Structure |
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| Formula |
C28H31ClN2O5S
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| Molecular Weight |
543.085
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| Canonical SMILES |
CO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H31ClN2O5S/c1-36-26-17-20-9-5-6-10-25(20)27(26)31-28(33)21(15-19-7-3-2-4-8-19)16-23(32)18-30-37(34,35)24-13-11-22(29)12-14-24/h2-14,21,23,26-27,30,32H,15-18H2,1H3,(H,31,33)/t21-,23+,26-,27+/m1/s1
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| InChIKey |
LOEVXXIBLBLPJG-JWRZUHOQSA-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