General Information of the Compound
| Compound ID |
CP0580078
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| Compound Name |
2-(oxan-4-yl)-6-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]sulfonyl-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C25H26F3NO5S
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| Molecular Weight |
509.546
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| Canonical SMILES |
FC(F)(F)c1ccccc1C1CCCN1S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1
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| InChI |
InChI=1S/C25H26F3NO5S/c26-25(27,28)20-5-2-1-4-18(20)21-6-3-11-29(21)35(31,32)17-7-8-23-19(14-17)22(30)15-24(34-23)16-9-12-33-13-10-16/h1-2,4-5,7-8,14,16,21,24H,3,6,9-13,15H2
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| InChIKey |
HKDZXOPSBJJNFX-UHFFFAOYSA-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