General Information of the Compound
| Compound ID |
CP0467050
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| Compound Name |
(3S,4R)-4-(4-ethyl-N-neopentylphenylsulfonamido)-3-hydroxy-2,2-dimethyl-N-phenethylchroman-6-carboxamide
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| Structure |
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| Formula |
C33H42N2O5S
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| Molecular Weight |
578.775
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N(CC(C)(C)C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C33H42N2O5S/c1-7-23-13-16-26(17-14-23)41(38,39)35(22-32(2,3)4)29-27-21-25(15-18-28(27)40-33(5,6)30(29)36)31(37)34-20-19-24-11-9-8-10-12-24/h8-18,21,29-30,36H,7,19-20,22H2,1-6H3,(H,34,37)/t29-,30+/m1/s1
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| InChIKey |
SEAGSBLGYSAWFW-IHLOFXLRSA-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