General Information of the Compound
| Compound ID |
CP0951077
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(2S)-2-(hydroxymethyl)azetidin-1-yl]methanone
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| Formula |
C23H21F3N2O2
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| Molecular Weight |
414.427
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CC[C@H]1CO
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| InChI |
InChI=1S/C23H21F3N2O2/c24-15-3-1-12(2-4-15)21-20(18-9-16(25)10-19(26)22(18)27-21)13-7-14(8-13)23(30)28-6-5-17(28)11-29/h1-4,9-10,13-14,17,27,29H,5-8,11H2/t13-,14-,17-/m0/s1
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| InChIKey |
PUOOOXNDGNMTRW-ZQIUZPCESA-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