General Information of the Compound
| Compound ID |
CP0966541
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| Compound Name |
trans-(3S)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-3-carboxamide
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
NC(=O)[C@H]1CCN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1
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| InChI |
InChI=1S/C24H22F3N3O2/c25-16-3-1-12(2-4-16)21-20(18-9-17(26)10-19(27)22(18)29-21)14-7-15(8-14)24(32)30-6-5-13(11-30)23(28)31/h1-4,9-10,13-15,29H,5-8,11H2,(H2,28,31)/t13-,14-,15-/m0/s1
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| InChIKey |
AHFBWHGDUQQTSP-KKUMJFAQSA-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