General Information of the Compound
| Compound ID |
CP0861233
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| Compound Name |
(3S,4S)-3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-methoxypyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C23H22ClFN4O4S
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| Molecular Weight |
504.971
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| Canonical SMILES |
CO[C@@H]1CN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1CNC(=O)c1ccc(Cl)s1
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| InChI |
InChI=1S/C23H22ClFN4O4S/c1-33-18-13-28(12-14(18)11-26-22(31)19-7-8-20(24)34-19)23(32)27-17-6-5-15(10-16(17)25)29-9-3-2-4-21(29)30/h2-10,14,18H,11-13H2,1H3,(H,26,31)(H,27,32)/t14-,18+/m0/s1
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| InChIKey |
NLLBAHMTXWSESM-KBXCAEBGSA-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