General Information of the Compound
| Compound ID |
CP0756360
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| Compound Name |
1,1,1-trifluoro-4-methyl-4-(3-(methylsulfonyl)phenyl)-2-((5-morpholino-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)pentan-2-ol
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| Structure |
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| Formula |
C25H30F3N3O4S
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| Molecular Weight |
525.593
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| Canonical SMILES |
CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(S(C)(=O)=O)c1
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| InChI |
InChI=1S/C25H30F3N3O4S/c1-23(2,18-5-4-6-20(13-18)36(3,33)34)16-24(32,25(26,27)28)14-19-11-17-12-22(29-15-21(17)30-19)31-7-9-35-10-8-31/h4-6,11-13,15,30,32H,7-10,14,16H2,1-3H3
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| InChIKey |
ZDCRSQSGCDAAAC-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