General Information of the Compound
| Compound ID |
CP0349566
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| Compound Name |
5-[[5-(3-tert-butyl-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 |
C28H30N6O4
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| Molecular Weight |
514.586
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| Canonical SMILES |
CC(C)(C)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C28H30N6O4/c1-27(2,3)25-33-23(38-34-25)19-14-29-26(32-22(19)31-21(15-35)16-9-7-6-8-10-16)30-17-11-12-18-20(13-17)28(4,5)37-24(18)36/h6-14,21,35H,15H2,1-5H3,(H2,29,30,31,32)/t21-/m1/s1
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| InChIKey |
YPUUKVINJSRXQN-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