General Information of the Compound
| Compound ID |
CP0448750
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| Compound Name |
(3S,4R)-4-(4-ethyl-N-isobutylphenylsulfonamido)-3-hydroxy-2,2-dimethyl-N-phenethylchroman-6-carboxamide
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| Structure |
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| Formula |
C32H40N2O5S
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| Molecular Weight |
564.748
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C32H40N2O5S/c1-6-23-12-15-26(16-13-23)40(37,38)34(21-22(2)3)29-27-20-25(14-17-28(27)39-32(4,5)30(29)35)31(36)33-19-18-24-10-8-7-9-11-24/h7-17,20,22,29-30,35H,6,18-19,21H2,1-5H3,(H,33,36)/t29-,30+/m1/s1
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| InChIKey |
IZQXBIZBTSMFMW-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