General Information of the Compound
| Compound ID |
CP0122058
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| Compound Name |
methyl N-[(3R)-8-[[4-(2,2-difluoroethylamino)furo[3,2-d]pyrimidin-2-yl]amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl]carbamate
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| Structure |
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| Formula |
C22H24F2N6O4
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| Molecular Weight |
474.468
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| Canonical SMILES |
COC(=O)N[C@@H]1CC(C)(C)c2ccc(Nc3nc(NCC(F)F)c4occc4n3)cc2NC1=O
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| InChI |
InChI=1S/C22H24F2N6O4/c1-22(2)9-15(29-21(32)33-3)19(31)27-14-8-11(4-5-12(14)22)26-20-28-13-6-7-34-17(13)18(30-20)25-10-16(23)24/h4-8,15-16H,9-10H2,1-3H3,(H,27,31)(H,29,32)(H2,25,26,28,30)/t15-/m1/s1
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| InChIKey |
FIPLZUDZTBBURI-OAHLLOKOSA-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