General Information of the Compound
| Compound ID |
CP0881608
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| Compound Name |
5-chloro-N-[(1R,2S,4R)-4-[[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]carbamoyl]-2-methoxycyclopentyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C23H21ClFN3O4S
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| Molecular Weight |
489.956
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| Canonical SMILES |
CO[C@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@H]1NC(=O)c1ccc(Cl)s1
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| InChI |
InChI=1S/C23H21ClFN3O4S/c1-32-18-11-13(10-17(18)27-23(31)19-7-8-20(24)33-19)22(30)26-16-6-5-14(12-15(16)25)28-9-3-2-4-21(28)29/h2-9,12-13,17-18H,10-11H2,1H3,(H,26,30)(H,27,31)/t13-,17-,18+/m1/s1
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| InChIKey |
WTMBDSYSYGKVRA-XWIAVFTESA-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