General Information of the Compound
| Compound ID |
CP0377423
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| Compound Name |
(3S,4R)-3-hydroxy-2,2-dimethyl-N-phenethyl-4-(phenylsulfonamido)chroman-6-carboxamide
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| Structure |
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| Formula |
C26H28N2O5S
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| Molecular Weight |
480.586
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](NS(=O)(=O)c2ccccc2)[C@@H]1O)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C26H28N2O5S/c1-26(2)24(29)23(28-34(31,32)20-11-7-4-8-12-20)21-17-19(13-14-22(21)33-26)25(30)27-16-15-18-9-5-3-6-10-18/h3-14,17,23-24,28-29H,15-16H2,1-2H3,(H,27,30)/t23-,24+/m1/s1
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| InChIKey |
MVURCXHVWSHYQY-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