General Information of the Compound
| Compound ID |
CP0196546
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| Compound Name |
[3-[[methyl-[3-(2-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-(4-hexylphenyl)carbamate
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| Structure |
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| Formula |
C33H38N2O5
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| Molecular Weight |
542.676
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| Canonical SMILES |
CCCCCCc1ccc(NC(=O)Oc2cccc(CN(C)CCCOc3ccc4ccc(=O)oc4c3)c2)cc1
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| InChI |
InChI=1S/C33H38N2O5/c1-3-4-5-6-9-25-12-16-28(17-13-25)34-33(37)39-30-11-7-10-26(22-30)24-35(2)20-8-21-38-29-18-14-27-15-19-32(36)40-31(27)23-29/h7,10-19,22-23H,3-6,8-9,20-21,24H2,1-2H3,(H,34,37)
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| InChIKey |
NHQAJSNDGMKMKP-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