General Information of the Compound
| Compound ID |
CP0401653
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| Compound Name |
N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]-3-fluoro-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H29F4N3O3
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| Molecular Weight |
519.539
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| Canonical SMILES |
C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ccc(cc1)C(=O)N1C(C)CCC1C
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| InChI |
InChI=1S/C27H29F4N3O3/c1-15-4-5-16(2)34(15)24(36)19-8-6-18(7-9-19)17(3)32-25(37)26(10-11-26)33-23(35)20-12-21(27(29,30)31)14-22(28)13-20/h6-9,12-17H,4-5,10-11H2,1-3H3,(H,32,37)(H,33,35)/t15?,16?,17-/m1/s1
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| InChIKey |
GQCQGYALDUZEBP-OFLPRAFFSA-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