General Information of the Compound
| Compound ID |
CP0222165
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| Compound Name |
[3-[[methyl-[3-(2-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-(6-phenylhexyl)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 |
CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCc2ccccc2)c1
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| InChI |
InChI=1S/C33H38N2O5/c1-35(21-10-22-38-29-18-16-28-17-19-32(36)40-31(28)24-29)25-27-14-9-15-30(23-27)39-33(37)34-20-8-3-2-5-11-26-12-6-4-7-13-26/h4,6-7,9,12-19,23-24H,2-3,5,8,10-11,20-22,25H2,1H3,(H,34,37)
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| InChIKey |
CQTFNVLDNHGYMC-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