General Information of the Compound
| Compound ID |
CP0494217
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(pyrimidin-5-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C28H22F7N3O2
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| Molecular Weight |
565.489
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2cncnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H22F7N3O2/c1-15(17-6-20(27(30,31)32)10-21(7-17)28(33,34)35)40-24-13-38-23(26(24)16-2-4-22(29)5-3-16)8-18(9-25(38)39)19-11-36-14-37-12-19/h2-7,9-12,14-15,23-24,26H,8,13H2,1H3/t15-,23?,24+,26+/m1/s1
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| InChIKey |
WWHRMAVHLKUIEG-BIYSMUELSA-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