General Information of the Compound
| Compound ID |
CP0140823
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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-methylpyrimidine-5-carboxamide
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| Formula |
C24H25N5O4
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| Molecular Weight |
447.495
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| Canonical SMILES |
CNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C24H25N5O4/c1-24(2)18-11-15(9-10-16(18)22(32)33-24)27-23-26-12-17(21(31)25-3)20(29-23)28-19(13-30)14-7-5-4-6-8-14/h4-12,19,30H,13H2,1-3H3,(H,25,31)(H2,26,27,28,29)/t19-/m1/s1
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| InChIKey |
BRNMCVNQMQLRHM-LJQANCHMSA-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