General Information of the Compound
| Compound ID |
CP0334730
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| Compound Name |
2-chloro-4-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2lambda6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenol
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| Structure |
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| Formula |
C21H25ClFN3O3S
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| Molecular Weight |
453.967
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| Canonical SMILES |
C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)c(Cl)c1
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| InChI |
InChI=1S/C21H25ClFN3O3S/c1-15-12-21(8-9-25(15)13-16-6-7-20(27)19(22)10-16)14-24(2)30(28,29)26(21)18-5-3-4-17(23)11-18/h3-7,10-11,15,27H,8-9,12-14H2,1-2H3/t15-,21+/m0/s1
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| InChIKey |
OPALZHQMUWJZMW-YCRPNKLZSA-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