General Information of the Compound
| Compound ID |
CP0179104
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| Compound Name |
methyl (2S)-2-[2-(N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C26H27ClF3N3O4
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| Molecular Weight |
537.966
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| Canonical SMILES |
COC(=O)N1CCC[C@H]1CC(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1
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| InChI |
InChI=1S/C26H27ClF3N3O4/c1-37-25(36)32-11-5-8-18(32)13-22(34)33(19-7-4-6-16(28)12-19)23(20-9-2-3-10-21(20)27)24(35)31-17-14-26(29,30)15-17/h2-4,6-7,9-10,12,17-18,23H,5,8,11,13-15H2,1H3,(H,31,35)/t18-,23-/m0/s1
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| InChIKey |
FIFCCTHHVVJDQX-MBSDFSHPSA-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