General Information of the Compound
| Compound ID |
CP0375884
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| Compound Name |
(8R,9S,13S,14S,17R)-17-[(E)-4,4,5,5,6,6,6-heptafluorohex-1-enyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
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| Structure |
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| Formula |
C25H29F7O2
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| Molecular Weight |
494.491
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| Canonical SMILES |
COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F)[C@@H]3CCc2c1
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| InChI |
InChI=1S/C25H29F7O2/c1-21-12-8-18-17-7-5-16(34-2)14-15(17)4-6-19(18)20(21)9-13-22(21,33)10-3-11-23(26,27)24(28,29)25(30,31)32/h3,5,7,10,14,18-20,33H,4,6,8-9,11-13H2,1-2H3/b10-3+/t18-,19-,20+,21+,22+/m1/s1
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| InChIKey |
QEMUNPYCULMNPI-CTMVVQSOSA-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor