General Information of the Compound
| Compound ID |
CP0455762
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| Compound Name |
ethyl 4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
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| Structure |
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| Formula |
C27H23F2N5O5
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| Molecular Weight |
535.507
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| Canonical SMILES |
CCOC(=O)c1cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2c1C
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| InChI |
InChI=1S/C27H23F2N5O5/c1-3-38-24(35)19-13-34-22(15(19)2)23(30-14-31-34)39-21-9-8-18(12-20(21)29)33-26(37)27(10-11-27)25(36)32-17-6-4-16(28)5-7-17/h4-9,12-14H,3,10-11H2,1-2H3,(H,32,36)(H,33,37)
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| InChIKey |
DQLOHILNKDCIPC-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