General Information of the Compound
| Compound ID |
CP0491036
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| Compound Name |
N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[3-(propan-2-ylamino)butanoylamino]phenyl]pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C30H28FN5O4
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| Molecular Weight |
541.583
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| Canonical SMILES |
CC(C)NC(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C30H28FN5O4/c1-17(2)33-18(3)12-28(38)34-21-7-4-6-19(13-21)23-15-25(22-10-9-20(31)14-26(22)37)35-29(24(23)16-32)36-30(39)27-8-5-11-40-27/h4-11,13-15,17-18,33,37H,12H2,1-3H3,(H,34,38)(H,35,36,39)
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| InChIKey |
LBZXIMVHSCCDBC-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