General Information of the Compound
| Compound ID |
CP0869907
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(5-oxotetrahydrofuran-3-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one hydrochloride
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| Structure |
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| Formula |
C28H25ClF7NO4
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| Molecular Weight |
607.95
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(=O)C=C(C3COC(=O)C3)CC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
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| InChI |
InChI=1S/C28H24F7NO4.ClH/c1-14(16-6-19(27(30,31)32)11-20(7-16)28(33,34)35)40-23-12-36-22(26(23)15-2-4-21(29)5-3-15)8-17(9-24(36)37)18-10-25(38)39-13-18;/h2-7,9,11,14,18,22-23,26H,8,10,12-13H2,1H3;1H/t14-,18?,22?,23+,26+;/m1./s1
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| InChIKey |
RNPGFWHJULSGFF-BMQODWMRSA-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