General Information of the Compound
| Compound ID |
CP0179106
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| Compound Name |
(2S)-2-(2-chlorophenyl)-2-(N-[2-[(2S,4S)-1-(4-cyanopyrimidin-2-yl)-4-hydroxy-5-oxopyrrolidin-2-yl]acetyl]-3,5-difluoroanilino)-N-(3,3-difluorocyclobutyl)acetamide
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| Structure |
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| Formula |
C29H23ClF4N6O4
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| Molecular Weight |
630.986
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| Canonical SMILES |
O[C@H]1C[C@@H](CC(=O)N([C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c2cc(F)cc(F)c2)N(C1=O)c1nccc(n1)C#N
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| InChI |
InChI=1S/C29H23ClF4N6O4/c30-22-4-2-1-3-21(22)25(26(43)37-18-12-29(33,34)13-18)39(19-8-15(31)7-16(32)9-19)24(42)11-20-10-23(41)27(44)40(20)28-36-6-5-17(14-35)38-28/h1-9,18,20,23,25,41H,10-13H2,(H,37,43)/t20-,23-,25-/m0/s1
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| InChIKey |
LNFHKGBOZWRFAD-OPHFCASCSA-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