General Information of the Compound
| Compound ID |
CP0514280
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| Compound Name |
N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-3-fluoro-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H28F5N3O3
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| Molecular Weight |
537.529
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| Canonical SMILES |
C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ccc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C
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| InChI |
InChI=1S/C27H28F5N3O3/c1-14-4-5-15(2)35(14)24(37)17-6-7-21(22(29)12-17)16(3)33-25(38)26(8-9-26)34-23(36)18-10-19(27(30,31)32)13-20(28)11-18/h6-7,10-16H,4-5,8-9H2,1-3H3,(H,33,38)(H,34,36)/t14-,15+,16-/m1/s1
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| InChIKey |
RQYSIEFGWQGKSD-OWCLPIDISA-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