General Information of the Compound
| Compound ID |
CP0170505
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| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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| Structure |
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| Formula |
C25H35N3O8S
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| Molecular Weight |
537.635
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)S(=O)(=O)c1c(C)noc1C
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| InChI |
InChI=1S/C25H35N3O8S/c1-4-34-11-10-28(37(32,33)24-17(2)26-36-18(24)3)15-20(30)14-27-9-5-8-25(16-27)13-22(31)21-12-19(29)6-7-23(21)35-25/h6-7,12,20,29-30H,4-5,8-11,13-16H2,1-3H3/t20-,25?/m0/s1
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| InChIKey |
ILHDZJHLVBFCDE-JINQPTGOSA-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