General Information of the Compound
| Compound ID |
CP0530520
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| Compound Name |
(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
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| Structure |
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| Formula |
C26H27BrN2O5S
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| Molecular Weight |
559.482
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(=O)Nc1ccc(Br)cc1
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| InChI |
InChI=1S/C26H27BrN2O5S/c1-4-16-5-12-20(13-6-16)35(32,33)29-23-21-15-17(7-14-22(21)34-26(2,3)24(23)30)25(31)28-19-10-8-18(27)9-11-19/h5-15,23-24,29-30H,4H2,1-3H3,(H,28,31)/t23-,24+/m1/s1
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| InChIKey |
QEJFGURHLXWELC-RPWUZVMVSA-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