General Information of the Compound
| Compound ID |
CP0564252
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| Compound Name |
methyl (2S)-2-[[4-[2-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]ethynyl]benzoyl]amino]propanoate
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| Formula |
C23H17F3N2O6
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| Molecular Weight |
474.391
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| Canonical SMILES |
COC(=O)[C@H](C)NC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C23H17F3N2O6/c1-13(22(30)33-2)27-21(29)16-8-5-14(6-9-16)3-4-15-7-10-19-17(11-15)12-18(28(31)32)20(34-19)23(24,25)26/h5-13,20H,1-2H3,(H,27,29)/t13-,20?/m0/s1
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| InChIKey |
GEIWOVLVQXLWPQ-SZQRVLIRSA-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