General Information of the Compound
| Compound ID |
CP0509475
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| Compound Name |
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(3-methylphenylsulfonamido)-N-phenethylchroman-6-carboxamide
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| Structure |
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| Formula |
C27H30N2O5S
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| Molecular Weight |
494.613
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)N[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C27H30N2O5S/c1-18-8-7-11-21(16-18)35(32,33)29-24-22-17-20(12-13-23(22)34-27(2,3)25(24)30)26(31)28-15-14-19-9-5-4-6-10-19/h4-13,16-17,24-25,29-30H,14-15H2,1-3H3,(H,28,31)/t24-,25+/m1/s1
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| InChIKey |
GQXRQNOUGMZFKZ-RPBOFIJWSA-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