General Information of the Compound
| Compound ID |
CP0170507
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| Compound Name |
N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propyl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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| Structure |
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| Formula |
C24H33N3O8S
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| Molecular Weight |
523.608
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| Canonical SMILES |
COCCN(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)S(=O)(=O)c1c(C)noc1C
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| InChI |
InChI=1S/C24H33N3O8S/c1-16-23(17(2)35-25-16)36(31,32)27(9-10-33-3)14-19(29)13-26-8-4-7-24(15-26)12-21(30)20-11-18(28)5-6-22(20)34-24/h5-6,11,19,28-29H,4,7-10,12-15H2,1-3H3/t19-,24?/m0/s1
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| InChIKey |
PDAQYFOOWGQKFR-XGLRFROISA-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