General Information of the Compound
| Compound ID |
CP0504013
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| Compound Name |
N-propyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]benzamide
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| Structure |
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| Formula |
C27H27F3N4O2
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| Molecular Weight |
496.533
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| Canonical SMILES |
CCCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H27F3N4O2/c1-2-16-33(25(35)20-10-5-3-6-11-20)19-26(36,27(28,29)30)18-31-23-14-9-15-24-22(23)17-32-34(24)21-12-7-4-8-13-21/h3-15,17,31,36H,2,16,18-19H2,1H3
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| InChIKey |
ADVQHWADXWMWRV-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