General Information of the Compound
| Compound ID |
CP0521341
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| Compound Name |
N-[4-fluoro-3-[(3R,5R)-4-(2-fluoro-4-methoxybenzoyl)-3,5-dimethylpiperazine-1-carbonyl]phenyl]acetamide
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| Structure |
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| Formula |
C23H25F2N3O4
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| Molecular Weight |
445.466
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| Canonical SMILES |
COc1ccc(C(=O)N2[C@H](C)CN(C[C@H]2C)C(=O)c2cc(NC(C)=O)ccc2F)c(F)c1
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| InChI |
InChI=1S/C23H25F2N3O4/c1-13-11-27(22(30)19-9-16(26-15(3)29)5-8-20(19)24)12-14(2)28(13)23(31)18-7-6-17(32-4)10-21(18)25/h5-10,13-14H,11-12H2,1-4H3,(H,26,29)/t13-,14-/m1/s1
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| InChIKey |
BRPDMPOGRWGGPQ-ZIAGYGMSSA-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