General Information of the Compound
| Compound ID |
CP0502294
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| Compound Name |
1-(2,9-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-yl)-4-(4-(trifluoromethyl)benzyloxy)pyridin-2(1H)-one
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| Structure |
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| Formula |
C26H24F3N3O2
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| Molecular Weight |
467.491
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| Canonical SMILES |
CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(OCc2ccc(cc2)C(F)(F)F)cc1=O
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| InChI |
InChI=1S/C26H24F3N3O2/c1-30-11-10-22-21-8-7-19(13-23(21)31(2)24(22)15-30)32-12-9-20(14-25(32)33)34-16-17-3-5-18(6-4-17)26(27,28)29/h3-9,12-14H,10-11,15-16H2,1-2H3
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| InChIKey |
YUDSZRPQLYTMFK-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