General Information of the Compound
| Compound ID |
CP0577873
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| Compound Name |
tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-oxo-2,3-dihydrochromen-2-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C31H42N2O6S
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| Molecular Weight |
570.752
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C31H42N2O6S/c1-7-22-8-10-24(11-9-22)33(20-21(2)3)40(36,37)25-12-13-28-26(18-25)27(34)19-29(38-28)23-14-16-32(17-15-23)30(35)39-31(4,5)6/h8-13,18,21,23,29H,7,14-17,19-20H2,1-6H3
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| InChIKey |
ARCRNYQMLWYKRM-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