General Information of the Compound
| Compound ID |
CP0575513
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| Compound Name |
(5R,11S)-N-(3-chloro-4-fluorophenyl)-11-[(dimethylamino)methyl]-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
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| Structure |
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| Formula |
C21H26ClFN6O3
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| Molecular Weight |
464.929
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| Canonical SMILES |
C[C@@H]1Cc2nn3C[C@H](CN(C)C)ON(C)C(=O)c3c2CN1C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C21H26ClFN6O3/c1-12-7-18-15(11-28(12)21(31)24-13-5-6-17(23)16(22)8-13)19-20(30)27(4)32-14(9-26(2)3)10-29(19)25-18/h5-6,8,12,14H,7,9-11H2,1-4H3,(H,24,31)/t12-,14+/m1/s1
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| InChIKey |
MHZYHAVMNODWNV-OCCSQVGLSA-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