General Information of the Compound
| Compound ID |
CP0514151
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| Compound Name |
tert-butyl 6-[4-(propan-2-ylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
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| Structure |
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| Formula |
C28H37NO5S
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| Molecular Weight |
499.673
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| Canonical SMILES |
CC(C)S(=O)(=O)Cc1ccc(cc1)-c1ccc2OC3(CCN(CC3)C(=O)OC(C)(C)C)CCc2c1
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| InChI |
InChI=1S/C28H37NO5S/c1-20(2)35(31,32)19-21-6-8-22(9-7-21)23-10-11-25-24(18-23)12-13-28(33-25)14-16-29(17-15-28)26(30)34-27(3,4)5/h6-11,18,20H,12-17,19H2,1-5H3
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| InChIKey |
XXJIQKXWSWKFLE-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