General Information of the Compound
| Compound ID |
CP0131365
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| Compound Name |
[4-[[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]methyl]phenyl] N-(5-phenylpentyl)carbamate
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| Structure |
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| Formula |
C31H30N4O5
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| Molecular Weight |
538.604
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| Canonical SMILES |
O=C(NCCCCCc1ccccc1)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
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| InChI |
InChI=1S/C31H30N4O5/c36-30-17-13-25-12-16-28(19-29(25)40-30)38-22-26-21-35(34-33-26)20-24-10-14-27(15-11-24)39-31(37)32-18-6-2-5-9-23-7-3-1-4-8-23/h1,3-4,7-8,10-17,19,21H,2,5-6,9,18,20,22H2,(H,32,37)
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| InChIKey |
MBQLAHYLZRKMBE-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