General Information of the Compound
| Compound ID |
CP0962209
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| Compound Name |
Rac-(3aSR,6SR,6aSR,13aSR,13bRS)-11-hydroxy-6a-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 |
C28H22F3NO5
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| Molecular Weight |
509.48
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| Canonical SMILES |
C[C@@]12C(=O)c3cccc(O)c3C(=O)[C@@H]1C[C@@H]1C(=CC[C@@H]3C(=O)NC(=O)[C@@H]31)[C@@H]2c1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H22F3NO5/c1-27-18(23(34)21-15(24(27)35)3-2-4-19(21)33)11-17-14(9-10-16-20(17)26(37)32-25(16)36)22(27)12-5-7-13(8-6-12)28(29,30)31/h2-9,16-18,20,22,33H,10-11H2,1H3,(H,32,36,37)/t16-,17+,18-,20-,22-,27+/m0/s1
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| InChIKey |
UUXAFXWNWFPOSM-TXKLFMOSSA-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