General Information of the Compound
| Compound ID |
CP0219368
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| Compound Name |
6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(piperidine-1-carbonyl)-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 |
C26H25F2N5OS
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| Molecular Weight |
493.583
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| Canonical SMILES |
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C26H25F2N5OS/c1-25(22-13-26(22,35-24(30)32-25)23(34)33-9-3-2-4-10-33)18-11-16(5-7-19(18)27)12-20(28)21-8-6-17(14-29)15-31-21/h5-8,11-12,15,22H,2-4,9-10,13H2,1H3,(H2,30,32)/b20-12-/t22-,25+,26-/m0/s1
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| InChIKey |
SWVMBKBHZPWAQL-VPLUUOPTSA-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