General Information of the Compound
| Compound ID |
CP0377421
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| Compound Name |
(3R,4S)-N-((S)-1-benzylpyrrolidin-3-yl)-N-ethyl-4-(4-ethylphenylsulfonamido)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
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| Structure |
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| Formula |
C33H41N3O5S
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| Molecular Weight |
591.774
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| Canonical SMILES |
CCN([C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NS(=O)(=O)c3ccc(CC)cc3)c2c1
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| InChI |
InChI=1S/C33H41N3O5S/c1-5-23-12-15-27(16-13-23)42(39,40)34-30-28-20-25(14-17-29(28)41-33(3,4)31(30)37)32(38)36(6-2)26-18-19-35(22-26)21-24-10-8-7-9-11-24/h7-17,20,26,30-31,34,37H,5-6,18-19,21-22H2,1-4H3/t26-,30-,31+/m0/s1
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| InChIKey |
BKOPWXFJVJIOMD-HOSFBAFGSA-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