General Information of the Compound
| Compound ID |
CP0315691
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| Compound Name |
(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[3-(2-methylpropoxy)phenyl]methyl]-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
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| Structure |
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| Formula |
C24H32FN3O3S
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| Molecular Weight |
461.603
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| Canonical SMILES |
CC(C)COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1
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| InChI |
InChI=1S/C24H32FN3O3S/c1-18(2)16-31-23-9-4-6-20(12-23)15-27-11-10-24(14-19(27)3)17-26-32(29,30)28(24)22-8-5-7-21(25)13-22/h4-9,12-13,18-19,26H,10-11,14-17H2,1-3H3/t19-,24+/m0/s1
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| InChIKey |
GXSVXHVEJOLLKJ-YADARESESA-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