General Information of the Compound
| Compound ID |
CP0486627
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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)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carbonitrile
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| Structure |
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| Formula |
C23H18Cl2F3N5O2
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| Molecular Weight |
524.33
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| Canonical SMILES |
FC(F)(F)CCn1c(CCc2ccc(Cl)cc2)nnc1CN1C(=O)COc2c(cc(Cl)cc12)C#N
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| InChI |
InChI=1S/C23H18Cl2F3N5O2/c24-16-4-1-14(2-5-16)3-6-19-30-31-20(32(19)8-7-23(26,27)28)12-33-18-10-17(25)9-15(11-29)22(18)35-13-21(33)34/h1-2,4-5,9-10H,3,6-8,12-13H2
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| InChIKey |
IIXOVOBRVAJKJD-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