General Information of the Compound
| Compound ID |
CP0562763
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| Compound Name |
1-N'-[3-fluoro-4-[6-(4-hydroxypiperidine-1-carbonyl)-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 |
C30H28F2N6O5
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| Molecular Weight |
590.587
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| Canonical SMILES |
Cc1c(cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12)C(=O)N1CCC(O)CC1
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| InChI |
InChI=1S/C30H28F2N6O5/c1-17-22(27(40)37-12-8-21(39)9-13-37)15-38-25(17)26(33-16-34-38)43-24-7-6-20(14-23(24)32)36-29(42)30(10-11-30)28(41)35-19-4-2-18(31)3-5-19/h2-7,14-16,21,39H,8-13H2,1H3,(H,35,41)(H,36,42)
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| InChIKey |
LHHQPGJYANLUAT-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