General Information of the Compound
| Compound ID |
CP0487756
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| Compound Name |
N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[[2-[(2S)-1-methylpyrrolidin-2-yl]acetyl]amino]phenyl]pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C30H26FN5O4
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| Molecular Weight |
539.567
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| Canonical SMILES |
CN1CCC[C@H]1CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C30H26FN5O4/c1-36-11-3-7-21(36)15-28(38)33-20-6-2-5-18(13-20)23-16-25(22-10-9-19(31)14-26(22)37)34-29(24(23)17-32)35-30(39)27-8-4-12-40-27/h2,4-6,8-10,12-14,16,21,37H,3,7,11,15H2,1H3,(H,33,38)(H,34,35,39)/t21-/m0/s1
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| InChIKey |
LZGZYNBMJGXMSV-NRFANRHFSA-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