General Information of the Compound
| Compound ID |
CP0190277
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| Compound Name |
[3-[[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]methyl]phenyl] N-heptylcarbamate
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| Structure |
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| Formula |
C27H30N4O5
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| Molecular Weight |
490.56
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| Canonical SMILES |
CCCCCCCNC(=O)Oc1cccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1
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| InChI |
InChI=1S/C27H30N4O5/c1-2-3-4-5-6-14-28-27(33)35-24-9-7-8-20(15-24)17-31-18-22(29-30-31)19-34-23-12-10-21-11-13-26(32)36-25(21)16-23/h7-13,15-16,18H,2-6,14,17,19H2,1H3,(H,28,33)
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| InChIKey |
GCQIEQKAWZGVLF-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