General Information of the Compound
| Compound ID |
CP0550447
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| Compound Name |
[1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
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| Formula |
C24H20F4N4O2
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| Molecular Weight |
472.442
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| Canonical SMILES |
OC1CN(C1)C(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C24H20F4N4O2/c25-16-7-14(6-15(9-16)24(26,27)28)8-17-10-22(30-13-29-17)32-5-4-19-20(2-1-3-21(19)32)23(34)31-11-18(33)12-31/h1-3,6-7,9-10,13,18,33H,4-5,8,11-12H2
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| InChIKey |
HEVMDYDYBJMALK-UHFFFAOYSA-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