General Information of the Compound
| Compound ID |
CP0123719
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| Compound Name |
[3-[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]phenyl] N-heptylcarbamate
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| Structure |
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| Formula |
C26H28N4O5
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| Molecular Weight |
476.533
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| Canonical SMILES |
CCCCCCCNC(=O)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
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| InChI |
InChI=1S/C26H28N4O5/c1-2-3-4-5-6-14-27-26(32)34-23-9-7-8-21(15-23)30-17-20(28-29-30)18-33-22-12-10-19-11-13-25(31)35-24(19)16-22/h7-13,15-17H,2-6,14,18H2,1H3,(H,27,32)
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| InChIKey |
PPZMDFRSOSZTFY-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