General Information of the Compound
| Compound ID |
CP0330104
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| Compound Name |
(5R,7S)-1-(3-fluorophenyl)-7-methyl-3-propan-2-yl-8-[(3-propan-2-yloxyphenyl)methyl]-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
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| Structure |
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| Formula |
C26H36FN3O3S
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| Molecular Weight |
489.657
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| Canonical SMILES |
CC(C)Oc1cccc(CN2CC[C@]3(CN(C(C)C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1
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| InChI |
InChI=1S/C26H36FN3O3S/c1-19(2)29-18-26(30(34(29,31)32)24-10-7-9-23(27)15-24)12-13-28(21(5)16-26)17-22-8-6-11-25(14-22)33-20(3)4/h6-11,14-15,19-21H,12-13,16-18H2,1-5H3/t21-,26+/m0/s1
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| InChIKey |
LKFLONPUNYWUSP-HFZDXXHNSA-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