General Information of the Compound
| Compound ID |
CP0128712
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| Compound Name |
(R)-N-((7R,8R)-8-(4-ethylphenylsulfonamido)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(3-methoxybenzyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C31H37N3O5S
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| Molecular Weight |
563.72
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)[C@H]3CCCN3Cc3cccc(OC)c3)cc12
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| InChI |
InChI=1S/C31H37N3O5S/c1-3-21-9-14-26(15-10-21)40(37,38)33-30-27-19-24(13-11-23(27)12-16-29(30)35)32-31(36)28-8-5-17-34(28)20-22-6-4-7-25(18-22)39-2/h4,6-7,9-11,13-15,18-19,28-30,33,35H,3,5,8,12,16-17,20H2,1-2H3,(H,32,36)/t28-,29-,30-/m1/s1
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| InChIKey |
MUSFDFRZYSUXEO-IDZRBWSNSA-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