General Information of the Compound
| Compound ID |
CP0402036
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(4-(hydroxymethyl)phenyl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C31H26F7NO3
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| Molecular Weight |
593.539
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2ccc(CO)cc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C31H26F7NO3/c1-17(21-10-23(30(33,34)35)14-24(11-21)31(36,37)38)42-27-15-39-26(29(27)20-6-8-25(32)9-7-20)12-22(13-28(39)41)19-4-2-18(16-40)3-5-19/h2-11,13-14,17,26-27,29,40H,12,15-16H2,1H3/t17-,26?,27+,29+/m1/s1
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| InChIKey |
NJWUPRCNXYNBNF-QGYSTOEISA-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