General Information of the Compound
| Compound ID |
CP0219240
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| Compound Name |
N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propyl]-3,5-dimethyl-N-(2-propan-2-yloxyethyl)-1,2-oxazole-4-sulfonamide
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| Structure |
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| Formula |
C26H37N3O8S
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| Molecular Weight |
551.662
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| Canonical SMILES |
CC(C)OCCN(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)S(=O)(=O)c1c(C)noc1C
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| InChI |
InChI=1S/C26H37N3O8S/c1-17(2)35-11-10-29(38(33,34)25-18(3)27-37-19(25)4)15-21(31)14-28-9-5-8-26(16-28)13-23(32)22-12-20(30)6-7-24(22)36-26/h6-7,12,17,21,30-31H,5,8-11,13-16H2,1-4H3/t21-,26?/m0/s1
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| InChIKey |
WGEPMLUTQQQQSC-GVNKFJBHSA-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