General Information of the Compound
| Compound ID |
CP0211698
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| Compound Name |
(5R,7S)-1-(3-fluorophenyl)-7-methyl-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 |
C23H30FN3O3S
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| Molecular Weight |
447.576
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| Canonical SMILES |
CC(C)Oc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1
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| InChI |
InChI=1S/C23H30FN3O3S/c1-17(2)30-22-9-4-6-19(12-22)15-26-11-10-23(14-18(26)3)16-25-31(28,29)27(23)21-8-5-7-20(24)13-21/h4-9,12-13,17-18,25H,10-11,14-16H2,1-3H3/t18-,23+/m0/s1
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| InChIKey |
CYNJHNQWUQFBEA-FDDCHVKYSA-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