General Information of the Compound
| Compound ID |
CP0541503
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| Compound Name |
1-N'-[3-fluoro-4-[6-(2-hydroxy-3-methylbutoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
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| Structure |
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| Formula |
C29H29F2N5O5
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| Molecular Weight |
565.577
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| Canonical SMILES |
CC(C)C(O)COc1cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2c1C
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| InChI |
InChI=1S/C29H29F2N5O5/c1-16(2)22(37)14-40-24-13-36-25(17(24)3)26(32-15-33-36)41-23-9-8-20(12-21(23)31)35-28(39)29(10-11-29)27(38)34-19-6-4-18(30)5-7-19/h4-9,12-13,15-16,22,37H,10-11,14H2,1-3H3,(H,34,38)(H,35,39)
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| InChIKey |
LNPOSXZOBSQTAZ-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