General Information of the Compound
| Compound ID |
CP0378287
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| Compound Name |
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-phenylmethoxyacetyl)spiro[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 |
C28H27F6N3O4
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| Molecular Weight |
583.529
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| Canonical SMILES |
FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)COCc4ccccc4)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H27F6N3O4/c29-27(30,31)19-10-18(11-20(12-19)28(32,33)34)13-36-24(39)21-14-37(22(38)16-41-15-17-4-2-1-3-5-17)26(23(21)25(36)40)6-8-35-9-7-26/h1-5,10-12,21,23,35H,6-9,13-16H2
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| InChIKey |
JSNZMVJAAYILPX-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