General Information of the Compound
| Compound ID |
CP0968797
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(4-hydroxy-3,3-dimethyl-pyrrolidin-1-yl)methanone
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
CC1(C)CN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC1O
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| InChI |
InChI=1S/C25H25F3N2O2/c1-25(2)12-30(11-20(25)31)24(32)15-7-14(8-15)21-18-9-17(27)10-19(28)23(18)29-22(21)13-3-5-16(26)6-4-13/h3-6,9-10,14-15,20,29,31H,7-8,11-12H2,1-2H3/t14-,15-,20?
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| InChIKey |
RMRNEZGJDKKNFZ-LEWLWEGZSA-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