General Information of the Compound
| Compound ID |
CP0219367
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| Compound Name |
(1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide
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| Structure |
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| Formula |
C22H19F2N5OS
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| Molecular Weight |
439.491
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| Canonical SMILES |
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C22H19F2N5OS/c1-21(18-9-22(18,19(30)27-2)31-20(26)29-21)14-7-12(3-5-15(14)23)8-16(24)17-6-4-13(10-25)11-28-17/h3-8,11,18H,9H2,1-2H3,(H2,26,29)(H,27,30)/b16-8-/t18-,21+,22-/m0/s1
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| InChIKey |
XXLIOBKVJNBTMS-ZKMBLFMTSA-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