General Information of the Compound
| Compound ID |
CP0062062
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| Compound Name |
1,1,1-trifluoro-4-methyl-2-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-4-phenylpentan-2-ol
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| Structure |
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| Formula |
C24H28F3N3O2
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| Molecular Weight |
447.501
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| Canonical SMILES |
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C24H28F3N3O2/c1-22(2,18-6-4-3-5-7-18)16-23(31,24(25,26)27)14-19-12-17-13-21(28-15-20(17)29-19)30-8-10-32-11-9-30/h3-7,12-13,15,29,31H,8-11,14,16H2,1-2H3
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| InChIKey |
QDMKBJCCHCGTOQ-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