General Information of the Compound
| Compound ID |
CP0409718
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| Compound Name |
2-[3,5-bis(trifluoromethyl)benzoyl]-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-phenylspiro[3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-dione
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| Structure |
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| Formula |
C30H26F6N4O6S
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| Molecular Weight |
684.615
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1
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| InChI |
InChI=1S/C30H26F6N4O6S/c1-16-24(17(2)46-37-16)47(44,45)38-10-8-28(9-11-38)23-22(26(42)40(27(23)43)21-6-4-3-5-7-21)15-39(28)25(41)18-12-19(29(31,32)33)14-20(13-18)30(34,35)36/h3-7,12-14,22-23H,8-11,15H2,1-2H3
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| InChIKey |
GWCNPLNSWCRPJU-UHFFFAOYSA-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