General Information of the Compound
| Compound ID |
CP0580039
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| Compound Name |
N-(4-fluorophenyl)-1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl]cyclobutane-1-carboxamide
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| Formula |
C23H19F4N5O
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| Molecular Weight |
457.431
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| Canonical SMILES |
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)c2ccnc(n2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H19F4N5O/c24-14-2-4-15(5-3-14)29-21(33)22(10-1-11-22)18-7-6-17-16(30-18)9-13-32(17)19-8-12-28-20(31-19)23(25,26)27/h2-8,12H,1,9-11,13H2,(H,29,33)
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| InChIKey |
XYKUBPWZHNIIOZ-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