General Information of the Compound
| Compound ID |
CP0179105
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| Compound Name |
(2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-[2-[(2S)-5-oxo-1-pyrimidin-2-ylpyrrolidin-2-yl]acetyl]anilino)acetamide
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| Structure |
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| Formula |
C28H25ClF3N5O3
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| Molecular Weight |
571.987
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| Canonical SMILES |
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1ncccn1
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| InChI |
InChI=1S/C28H25ClF3N5O3/c29-22-8-2-1-7-21(22)25(26(40)35-18-15-28(31,32)16-18)36(19-6-3-5-17(30)13-19)24(39)14-20-9-10-23(38)37(20)27-33-11-4-12-34-27/h1-8,11-13,18,20,25H,9-10,14-16H2,(H,35,40)/t20-,25-/m0/s1
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| InChIKey |
RROSEJWCLKKWSO-CPJSRVTESA-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