General Information of the Compound
| Compound ID |
CP0367053
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| Compound Name |
ethyl 2-[(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)amino]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C25H26N4O5
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| Molecular Weight |
462.506
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| Canonical SMILES |
CCOC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C25H26N4O5/c1-4-33-22(31)18-13-26-24(29-21(18)28-20(14-30)15-8-6-5-7-9-15)27-16-10-11-17-19(12-16)25(2,3)34-23(17)32/h5-13,20,30H,4,14H2,1-3H3,(H2,26,27,28,29)/t20-/m1/s1
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| InChIKey |
KGMSWMZCIQWBHX-HXUWFJFHSA-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