General Information of the Compound
| Compound ID |
CP0849525
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| Compound Name |
Rac-(3aSR,6SR,6aSR,12aRS,13aSR,13bRS)-12a-methyl-6-(4'-(trifluoromethyl)phenyl-3a,4,6,6a,13,13a-hexahydro-1H-anthra[2,3-e]isoindole-1,3,7,12(2H,12aH,13bH)-tetraone
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| Structure |
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| Formula |
C28H22F3NO4
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| Molecular Weight |
493.481
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| Canonical SMILES |
C[C@@]12C[C@@H]3C(=CC[C@@H]4C(=O)NC(=O)[C@@H]43)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]1C(=O)c1ccccc1C2=O
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| InChI |
InChI=1S/C28H22F3NO4/c1-27-12-19-15(10-11-18-21(19)26(36)32-25(18)35)20(13-6-8-14(9-7-13)28(29,30)31)22(27)23(33)16-4-2-3-5-17(16)24(27)34/h2-10,18-22H,11-12H2,1H3,(H,32,35,36)/t18-,19+,20-,21-,22+,27+/m0/s1
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| InChIKey |
DAOSCBLDCKMSIU-TVYFEROHSA-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