General Information of the Compound
| Compound ID |
CP0458460
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| Compound Name |
[(3R)-3-cyclopropyl-3-[(3-fluorophenyl)methyl]-10-[4-(trifluoromethyl)phenyl]-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl]methanol
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| Structure |
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| Formula |
C26H22F4N4O
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| Molecular Weight |
482.481
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| Canonical SMILES |
OCc1nn2c3c(CN[C@]3(Cc3cccc(F)c3)C3CC3)cnc2c1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H22F4N4O/c27-20-3-1-2-15(10-20)11-25(18-8-9-18)23-17(13-32-25)12-31-24-22(21(14-35)33-34(23)24)16-4-6-19(7-5-16)26(28,29)30/h1-7,10,12,18,32,35H,8-9,11,13-14H2/t25-/m1/s1
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| InChIKey |
GLSPPSAFNUHLJA-RUZDIDTESA-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