General Information of the Compound
| Compound ID |
CP0211701
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| Compound Name |
(5R,7S)-8-[(3-ethoxyphenyl)methyl]-1-(3-fluorophenyl)-7-methyl-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
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| Structure |
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| Formula |
C22H28FN3O3S
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| Molecular Weight |
433.549
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| Canonical SMILES |
CCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1
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| InChI |
InChI=1S/C22H28FN3O3S/c1-3-29-21-9-4-6-18(12-21)15-25-11-10-22(14-17(25)2)16-24-30(27,28)26(22)20-8-5-7-19(23)13-20/h4-9,12-13,17,24H,3,10-11,14-16H2,1-2H3/t17-,22+/m0/s1
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| InChIKey |
OXUOUFYCNLPKRL-HTAPYJJXSA-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