General Information of the Compound
| Compound ID |
CP0123718
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| Compound Name |
[3-[[methyl-[5-(2-oxochromen-7-yl)oxypentyl]amino]methyl]phenyl] N-heptylcarbamate
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| Structure |
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| Formula |
C30H40N2O5
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| Molecular Weight |
508.659
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| Canonical SMILES |
CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3ccc(=O)oc3c2)c1
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| InChI |
InChI=1S/C30H40N2O5/c1-3-4-5-6-8-18-31-30(34)36-27-13-11-12-24(21-27)23-32(2)19-9-7-10-20-35-26-16-14-25-15-17-29(33)37-28(25)22-26/h11-17,21-22H,3-10,18-20,23H2,1-2H3,(H,31,34)
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| InChIKey |
YUVUWSUDMVTYOB-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