General Information of the Compound
| Compound ID |
CP0968887
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(1H-imidazol-2-ylmethyl)carbamate
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| Formula |
C23H19F3N4O2
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| Molecular Weight |
440.425
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| Canonical SMILES |
O=C(NCc1ncc[nH]1)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C23H19F3N4O2/c24-14-3-1-12(2-4-14)21-20(17-9-15(25)10-18(26)22(17)30-21)13-7-16(8-13)32-23(31)29-11-19-27-5-6-28-19/h1-6,9-10,13,16,30H,7-8,11H2,(H,27,28)(H,29,31)/t13-,16-
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| InChIKey |
VQBXCSJYPHFTRS-SAZUREKKSA-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