General Information of the Compound
| Compound ID |
CP0140829
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| Compound Name |
2-[(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)amino]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidine-5-carboxylic acid
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| Structure |
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| Formula |
C23H22N4O5
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| Molecular Weight |
434.452
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| Canonical SMILES |
CC1(C)OC(=O)c2ccc(Nc3ncc(C(O)=O)c(N[C@H](CO)c4ccccc4)n3)cc12
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| InChI |
InChI=1S/C23H22N4O5/c1-23(2)17-10-14(8-9-15(17)21(31)32-23)25-22-24-11-16(20(29)30)19(27-22)26-18(12-28)13-6-4-3-5-7-13/h3-11,18,28H,12H2,1-2H3,(H,29,30)(H2,24,25,26,27)/t18-/m1/s1
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| InChIKey |
NTTPVLDIJOHTEV-GOSISDBHSA-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