General Information of the Compound
| Compound ID |
CP0860542
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| Compound Name |
4-((1S,6R,7S)-8-Benzoyl-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]dec-4-yl)-2-trifluoromethyl-benzonitrile
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| Structure |
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| Formula |
C22H15F3N4O3
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| Molecular Weight |
440.381
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| Canonical SMILES |
N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)c4ccccc4)N3C2=O)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H15F3N4O3/c23-22(24,25)16-8-14(7-6-13(16)10-26)29-20(31)18-17-9-15(28(18)21(29)32)11-27(17)19(30)12-4-2-1-3-5-12/h1-8,15,17-18H,9,11H2/t15-,17-,18+/m0/s1
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| InChIKey |
VCKCSTNIXSJIQO-RYQLBKOJSA-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