General Information of the Compound
| Compound ID |
CP0464982
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| Compound Name |
6-chloro-4-((5-(4-chlorophenethyl)-4-(3,3,3-trifluoropropyl)-4H-1,2,4-triazol-3-yl)methyl)-8-(methylsulfonyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C23H21Cl2F3N4O4S
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| Molecular Weight |
577.412
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| Canonical SMILES |
CS(=O)(=O)c1cc(Cl)cc2N(Cc3nnc(CCc4ccc(Cl)cc4)n3CCC(F)(F)F)C(=O)COc12
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| InChI |
InChI=1S/C23H21Cl2F3N4O4S/c1-37(34,35)18-11-16(25)10-17-22(18)36-13-21(33)32(17)12-20-30-29-19(31(20)9-8-23(26,27)28)7-4-14-2-5-15(24)6-3-14/h2-3,5-6,10-11H,4,7-9,12-13H2,1H3
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| InChIKey |
LJTXTKYBYRLTEU-UHFFFAOYSA-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