General Information of the Compound
| Compound ID |
CP0424890
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| Compound Name |
5-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
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| Structure |
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| Formula |
C27H26N6O4
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| Molecular Weight |
498.543
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| Canonical SMILES |
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)C4CC4)c(N[C@H](CO)c4ccccc4)n3)cc12
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| InChI |
InChI=1S/C27H26N6O4/c1-27(2)20-12-17(10-11-18(20)25(35)36-27)29-26-28-13-19(24-31-22(33-37-24)16-8-9-16)23(32-26)30-21(14-34)15-6-4-3-5-7-15/h3-7,10-13,16,21,34H,8-9,14H2,1-2H3,(H2,28,29,30,32)/t21-/m1/s1
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| InChIKey |
NHLRQGPSAURBBL-OAQYLSRUSA-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