General Information of the Compound
| Compound ID |
CP0943811
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| Compound Name |
methyl (2R,3S,5R)-2-[[(1S,3R,4R)-3,4-dideuterio-4-(3-fluorophenyl)cyclohexoxy]methyl]-3-(dimethylsulfamoylamino)-5-methyl-pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C22H34FN3O5S
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| Molecular Weight |
473.6072036
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| Canonical SMILES |
[2H][C@@H]1C[C@@H](OC[C@H]2[C@@H](NS(=O)(=O)N(C)C)C[C@@H](C)N2C(=O)OC)CC[C@@]1([2H])c1cccc(F)c1
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| InChI |
InChI=1S/C22H34FN3O5S/c1-15-12-20(24-32(28,29)25(2)3)21(26(15)22(27)30-4)14-31-19-10-8-16(9-11-19)17-6-5-7-18(23)13-17/h5-7,13,15-16,19-21,24H,8-12,14H2,1-4H3/t15-,16-,19+,20+,21+/m1/s1/i8D,16D/t8-,15-,16+,19-,20+,21+
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| InChIKey |
VRCBPPQSWQSLSW-QQQLQBHZSA-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