General Information of the Compound
| Compound ID |
CP0516402
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| Compound Name |
N-[1-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C28H29FN8O
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| Molecular Weight |
512.593
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| Canonical SMILES |
CC(=O)NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
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| InChI |
InChI=1S/C28H29FN8O/c1-19(38)33-24-8-10-35(11-9-24)17-21-7-12-36-27(21)28(30-18-32-36)34-25-5-6-26-22(14-25)15-31-37(26)16-20-3-2-4-23(29)13-20/h2-7,12-15,18,24H,8-11,16-17H2,1H3,(H,33,38)(H,30,32,34)
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| InChIKey |
VNSGZPKJDBAOQI-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