General Information of the Compound
| Compound ID |
CP0556843
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| Compound Name |
[3-[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]phenyl] N-(5-phenylpentyl)carbamate
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| Structure |
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| Formula |
C30H28N4O5
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| Molecular Weight |
524.577
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| Canonical SMILES |
O=C(NCCCCCc1ccccc1)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
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| InChI |
InChI=1S/C30H28N4O5/c35-29-16-14-23-13-15-26(19-28(23)39-29)37-21-24-20-34(33-32-24)25-11-7-12-27(18-25)38-30(36)31-17-6-2-5-10-22-8-3-1-4-9-22/h1,3-4,7-9,11-16,18-20H,2,5-6,10,17,21H2,(H,31,36)
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| InChIKey |
QXCYDBYFEDOWQZ-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