General Information of the Compound
| Compound ID |
CP0234301
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| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-3-(6-fluorospiro[3,4-dihydrochromene-2,3'-piperidine]-1'-yl)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C28H39FN2O5S
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| Molecular Weight |
534.694
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(F)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C28H39FN2O5S/c1-4-35-16-15-31(37(33,34)27-21(2)7-5-8-22(27)3)19-25(32)18-30-14-6-12-28(20-30)13-11-23-17-24(29)9-10-26(23)36-28/h5,7-10,17,25,32H,4,6,11-16,18-20H2,1-3H3/t25-,28?/m0/s1
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| InChIKey |
JANLTTGWVGUGII-ALLRNTDFSA-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