General Information of the Compound
| Compound ID |
CP0560052
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| Compound Name |
6-((Z)-2-(3-((1R,5S,6S)-3-amino-5-methyl-1-(methylsulfonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile
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| Structure |
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| Formula |
C21H18F2N4O2S2
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| Molecular Weight |
460.531
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| Canonical SMILES |
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C21H18F2N4O2S2/c1-20(18-9-21(18,31(2,28)29)30-19(25)27-20)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(10-24)11-26-17/h3-8,11,18H,9H2,1-2H3,(H2,25,27)/b16-8-/t18-,20+,21+/m0/s1
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| InChIKey |
GFASAWMOOYRMJU-WYVHCHOOSA-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