General Information of the Compound
| Compound ID |
CP0546652
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| Compound Name |
5,5-dimethyl-8-[[4-(2,2,2-trifluoroethylamino)furo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-1-benzazepin-2-one
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| Structure |
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| Formula |
C20H20F3N5O2
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| Molecular Weight |
419.407
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| Canonical SMILES |
CC1(C)CCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
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| InChI |
InChI=1S/C20H20F3N5O2/c1-19(2)7-5-15(29)26-14-9-11(3-4-12(14)19)25-18-27-13-6-8-30-16(13)17(28-18)24-10-20(21,22)23/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,26,29)(H2,24,25,27,28)
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| InChIKey |
GTBHCHNISMHJKA-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