General Information of the Compound
| Compound ID |
CP0219191
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| Compound Name |
3-chloro-N-(2-ethoxyethyl)-N-((2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[chroman-2,3'-piperidine]-1'-yl)propyl)benzenesulfonamide
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| Structure |
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| Formula |
C26H33ClN2O7S
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| Molecular Weight |
553.077
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H33ClN2O7S/c1-2-35-12-11-29(37(33,34)22-6-3-5-19(27)13-22)17-21(31)16-28-10-4-9-26(18-28)15-24(32)23-14-20(30)7-8-25(23)36-26/h3,5-8,13-14,21,30-31H,2,4,9-12,15-18H2,1H3/t21-,26?/m0/s1
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| InChIKey |
UBGPQKGLZLBDPE-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