General Information of the Compound
| Compound ID |
CP0276089
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| Compound Name |
(8R,9S,13S,14S,17R)-13-methyl-17-[[3-(trifluoromethyl)phenyl]methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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| Structure |
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| Formula |
C26H29F3O2
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| Molecular Weight |
430.51
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H29F3O2/c1-24-11-9-21-20-8-6-19(30)14-17(20)5-7-22(21)23(24)10-12-25(24,31)15-16-3-2-4-18(13-16)26(27,28)29/h2-4,6,8,13-14,21-23,30-31H,5,7,9-12,15H2,1H3/t21-,22-,23+,24+,25-/m1/s1
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| InChIKey |
JRSQYSLSGRZKNR-WJGLBBAVSA-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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