General Information of the Compound
| Compound ID |
CP0315104
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| Compound Name |
(2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-[2-[(2S)-1-(4-fluoropyridin-2-yl)-5-oxopyrrolidin-2-yl]acetyl]anilino)acetamide
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| Structure |
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| Formula |
C29H25ClF4N4O3
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| Molecular Weight |
588.989
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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)N1c1cc(F)ccn1
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| InChI |
InChI=1S/C29H25ClF4N4O3/c30-23-7-2-1-6-22(23)27(28(41)36-19-15-29(33,34)16-19)38(20-5-3-4-17(31)12-20)26(40)14-21-8-9-25(39)37(21)24-13-18(32)10-11-35-24/h1-7,10-13,19,21,27H,8-9,14-16H2,(H,36,41)/t21-,27-/m0/s1
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| InChIKey |
QHLWBMKTNNHFOQ-IDISGSTGSA-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