General Information of the Compound
| Compound ID |
CP0506146
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| Compound Name |
N-ethyl-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)-6-methylindazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
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| Structure |
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| Formula |
C27H26F4N4O2
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| Molecular Weight |
514.523
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| Canonical SMILES |
CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H26F4N4O2/c1-3-34(25(36)19-7-5-4-6-8-19)17-26(37,27(29,30)31)16-32-23-13-18(2)14-24-22(23)15-33-35(24)21-11-9-20(28)10-12-21/h4-15,32,37H,3,16-17H2,1-2H3
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| InChIKey |
URCUNNAOYXRFNW-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