General Information of the Compound
| Compound ID |
CP0140826
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| Compound Name |
2-[(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)amino]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-methyl-N-propylpyrimidine-5-carboxamide
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| Formula |
C27H31N5O4
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| Molecular Weight |
489.576
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| Canonical SMILES |
CCCN(C)C(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C27H31N5O4/c1-5-13-32(4)24(34)20-15-28-26(31-23(20)30-22(16-33)17-9-7-6-8-10-17)29-18-11-12-19-21(14-18)27(2,3)36-25(19)35/h6-12,14-15,22,33H,5,13,16H2,1-4H3,(H2,28,29,30,31)/t22-/m1/s1
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| InChIKey |
XGMSLFYWPZACRT-JOCHJYFZSA-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