General Information of the Compound
| Compound ID |
CP0170503
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| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxyspiro[3,4-dihydrochromene-2,3'-piperidine]-1'-yl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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| Structure |
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| Formula |
C25H37N3O7S
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| Molecular Weight |
523.652
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C
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| InChI |
InChI=1S/C25H37N3O7S/c1-4-33-13-12-28(36(31,32)24-18(2)26-35-19(24)3)16-22(30)15-27-11-5-9-25(17-27)10-8-20-14-21(29)6-7-23(20)34-25/h6-7,14,22,29-30H,4-5,8-13,15-17H2,1-3H3/t22-,25?/m0/s1
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| InChIKey |
AZWFENCKMNSKBH-XADRRFQNSA-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