General Information of the Compound
| Compound ID |
CP0559105
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| Compound Name |
N-[3-[(9R)-7-amino-2,2-difluoro-9-methyl-6-thia-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H19F4N5O2S
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| Molecular Weight |
469.464
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| Canonical SMILES |
C[C@@]1(N=C(N)SCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F
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| InChI |
InChI=1S/C20H19F4N5O2S/c1-18(19(7-20(23,24)8-19)9-32-17(25)29-18)12-4-11(2-3-13(12)22)28-16(30)14-5-27-15(6-26-14)31-10-21/h2-6H,7-10H2,1H3,(H2,25,29)(H,28,30)/t18-/m1/s1
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| InChIKey |
NHIZASHNRARLRK-GOSISDBHSA-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