General Information of the Compound
| Compound ID |
CP0530832
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| Compound Name |
(3S,4R)-3-hydroxy-4-(4-methoxyphenylsulfonamido)-2,2-dimethyl-N-phenethylchroman-6-carboxamide
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| Structure |
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| Formula |
C27H30N2O6S
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| Molecular Weight |
510.612
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| Canonical SMILES |
COc1ccc(cc1)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/C27H30N2O6S/c1-27(2)25(30)24(29-36(32,33)21-12-10-20(34-3)11-13-21)22-17-19(9-14-23(22)35-27)26(31)28-16-15-18-7-5-4-6-8-18/h4-14,17,24-25,29-30H,15-16H2,1-3H3,(H,28,31)/t24-,25+/m1/s1
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| InChIKey |
CGEHKOBNDHVFSK-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