General Information of the Compound
| Compound ID |
CP0086600
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| Compound Name |
N-[3-fluoro-4-[2-(1-propan-2-ylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C30H26FN5O3S
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| Molecular Weight |
555.635
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| Canonical SMILES |
CC(C)n1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4CN(C(=O)C4)c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C30H26FN5O3S/c1-18(2)35-16-24(33-17-35)27-14-23-29(40-27)26(10-11-32-23)39-25-9-8-20(13-22(25)31)34-30(38)19-12-28(37)36(15-19)21-6-4-3-5-7-21/h3-11,13-14,16-19H,12,15H2,1-2H3,(H,34,38)
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| InChIKey |
KHJCRDAQJTVGIC-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