General Information of the Compound
| Compound ID |
CP0123717
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| Compound Name |
3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})amino]methyl}phenyl N-heptylcarbamate hydrochloride
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| Structure |
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| Formula |
C28H36N2O5
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| Molecular Weight |
480.605
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| Canonical SMILES |
CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
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| InChI |
InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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| InChIKey |
FTRXEEOTFGUKHN-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