General Information of the Compound
| Compound ID |
CP0576605
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| Compound Name |
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-3-chloro-5-(difluoromethoxy)pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H17ClF6N4O3
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| Molecular Weight |
510.822
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F
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| InChI |
InChI=1S/C20H17ClF6N4O3/c1-18(8-33-19(2,16(28)31-18)20(25,26)27)11-5-9(3-4-13(11)22)30-15(32)14-12(21)6-10(7-29-14)34-17(23)24/h3-7,17H,8H2,1-2H3,(H2,28,31)(H,30,32)/t18-,19+/m0/s1
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| InChIKey |
WAZXJCCRJQZNHV-RBUKOAKNSA-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