General Information of the Compound
| Compound ID |
CP0449213
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| Compound Name |
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3-chloro-1-benzothiophene-2-carbonyl)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 |
C28H22ClF6N3O3S
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| Molecular Weight |
630.01
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| Canonical SMILES |
FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)c4sc5ccccc5c4Cl)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H22ClF6N3O3S/c29-21-17-3-1-2-4-19(17)42-22(21)25(41)38-13-18-20(26(38)5-7-36-8-6-26)24(40)37(23(18)39)12-14-9-15(27(30,31)32)11-16(10-14)28(33,34)35/h1-4,9-11,18,20,36H,5-8,12-13H2
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| InChIKey |
YOFWXHCWDOJSFS-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