General Information of the Compound
| Compound ID |
CP0454486
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| Compound Name |
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dimethoxybenzoyl)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 |
C28H27F6N3O5
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| Molecular Weight |
599.528
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CC2C(C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2=O)C11CCNCC1
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| InChI |
InChI=1S/C28H27F6N3O5/c1-41-20-4-3-16(11-21(20)42-2)23(38)37-14-19-22(26(37)5-7-35-8-6-26)25(40)36(24(19)39)13-15-9-17(27(29,30)31)12-18(10-15)28(32,33)34/h3-4,9-12,19,22,35H,5-8,13-14H2,1-2H3
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| InChIKey |
JMTNSBHIHIHOHW-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