General Information of the Compound
| Compound ID |
CP0143332
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| Compound Name |
(1S,5S,6S)-3-amino-5-(5-((Z)-2-(5-cyanopyridin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-N,N,5-trimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide
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| Structure |
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| Formula |
C23H21F2N5OS
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| Molecular Weight |
453.518
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| Canonical SMILES |
CN(C)C(=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/C23H21F2N5OS/c1-22(19-10-23(19,20(31)30(2)3)32-21(27)29-22)15-8-13(4-6-16(15)24)9-17(25)18-7-5-14(11-26)12-28-18/h4-9,12,19H,10H2,1-3H3,(H2,27,29)/b17-9-/t19-,22+,23-/m0/s1
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| InChIKey |
JZDMWPTVBRAJMZ-OZNMDXOXSA-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