General Information of the Compound
| Compound ID |
CP0434793
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| Compound Name |
2-[4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C29H25N5O5
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| Molecular Weight |
523.549
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| Canonical SMILES |
COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(CC(O)=O)cc2)cc1OC
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| InChI |
InChI=1S/C29H25N5O5/c1-38-24-11-10-22(16-25(24)39-2)31-27-28-30-12-13-34(28)17-23(33-27)19-4-3-5-20(15-19)29(37)32-21-8-6-18(7-9-21)14-26(35)36/h3-13,15-17H,14H2,1-2H3,(H,31,33)(H,32,37)(H,35,36)
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| InChIKey |
GHMVPMZBVJXDGR-UHFFFAOYSA-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