General Information of the Compound
| Compound ID |
CP0283743
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| Compound Name |
(1S,3S,Z)-3-(difluoromethyl)-5-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-octahydroinden-4-ylidene)ethylidene)-4-methylenecyclohexanol
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| Structure |
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| Formula |
C28H44F2O2
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| Molecular Weight |
450.654
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| Canonical SMILES |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](C(F)F)C1=C
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| InChI |
InChI=1S/C28H44F2O2/c1-18(8-6-14-27(3,4)32)24-12-13-25-20(9-7-15-28(24,25)5)10-11-21-16-22(31)17-23(19(21)2)26(29)30/h10-11,18,22-26,31-32H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23+,24-,25+,28-/m1/s1
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| InChIKey |
GNFQEPUBHMMSPE-QJPDEEHLSA-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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