General Information of the Compound
| Compound ID |
CP0314386
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| Compound Name |
methyl N-[(3R)-8-[[4-(cyclopropylamino)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 |
C23H26N6O4
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| Molecular Weight |
450.499
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| Canonical SMILES |
COC(=O)N[C@@H]1CC(C)(C)c2ccc(Nc3nc(NC4CC4)c4occc4n3)cc2NC1=O
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| InChI |
InChI=1S/C23H26N6O4/c1-23(2)11-17(28-22(31)32-3)20(30)26-16-10-13(6-7-14(16)23)25-21-27-15-8-9-33-18(15)19(29-21)24-12-4-5-12/h6-10,12,17H,4-5,11H2,1-3H3,(H,26,30)(H,28,31)(H2,24,25,27,29)/t17-/m1/s1
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| InChIKey |
IHKYWLSKEVXVIJ-QGZVFWFLSA-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