General Information of the Compound
| Compound ID |
CP0433993
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| Compound Name |
(3S,4R)-4-(N-butyl-4-ethylphenylsulfonamido)-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 |
CCCCN([C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(CC)cc1
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| InChI |
InChI=1S/C32H40N2O5S/c1-5-7-21-34(40(37,38)26-16-13-23(6-2)14-17-26)29-27-22-25(15-18-28(27)39-32(3,4)30(29)35)31(36)33-20-19-24-11-9-8-10-12-24/h8-18,22,29-30,35H,5-7,19-21H2,1-4H3,(H,33,36)/t29-,30+/m1/s1
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| InChIKey |
MJJYOGKDYSSXAT-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