General Information of the Compound
| Compound ID |
CP0562825
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| Compound Name |
2-(tert-butylamino)-1-[5-[(4-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
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| Structure |
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| Formula |
C21H26FN3O
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| Molecular Weight |
355.457
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| Canonical SMILES |
CC(C)(C)NCC(=O)N1CCc2cc(NCc3ccc(F)cc3)ccc12
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| InChI |
InChI=1S/C21H26FN3O/c1-21(2,3)24-14-20(26)25-11-10-16-12-18(8-9-19(16)25)23-13-15-4-6-17(22)7-5-15/h4-9,12,23-24H,10-11,13-14H2,1-3H3
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| InChIKey |
LEFPDFZTPWRJEV-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