General Information of the Compound
| Compound ID |
CP0055886
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| Compound Name |
(R)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)pyrrolidin-3-yl)cyclopenta-1,3-dienecarboxamide
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| Structure |
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| Formula |
C22H20ClFN4O3S
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| Molecular Weight |
474.945
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| Canonical SMILES |
Fc1cc(ccc1NC(=O)CN1CC[C@H](C1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O
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| InChI |
InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m1/s1
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| InChIKey |
IYGIXVNAMZPBDK-CQSZACIVSA-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