General Information of the Compound
| Compound ID |
CP0552320
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| Compound Name |
N-[2-(carbamoylamino)ethyl]-4-[2-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]ethynyl]benzamide
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| Formula |
C22H17F3N4O5
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| Molecular Weight |
474.395
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| Canonical SMILES |
NC(=O)NCCNC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C22H17F3N4O5/c23-22(24,25)19-17(29(32)33)12-16-11-14(5-8-18(16)34-19)2-1-13-3-6-15(7-4-13)20(30)27-9-10-28-21(26)31/h3-8,11-12,19H,9-10H2,(H,27,30)(H3,26,28,31)
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| InChIKey |
VTDLBHIFCHWZEM-UHFFFAOYSA-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