General Information of the Compound
| Compound ID |
CP0245779
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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]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H33F3N2O7S
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| Molecular Weight |
586.629
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)S(=O)(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C27H33F3N2O7S/c1-2-38-13-12-32(40(36,37)25-7-4-3-6-22(25)27(28,29)30)17-20(34)16-31-11-5-10-26(18-31)15-23(35)21-14-19(33)8-9-24(21)39-26/h3-4,6-9,14,20,33-34H,2,5,10-13,15-18H2,1H3/t20-,26?/m0/s1
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| InChIKey |
GRFJJAWWBOABJH-DQUNLGLBSA-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