General Information of the Compound
| Compound ID |
CP0181448
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| Compound Name |
[3-[[methyl-[3-(4-methyl-2-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-(5-phenylpentyl)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(CCCOc1ccc2c(C)cc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
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| InChI |
InChI=1S/C33H38N2O5/c1-25-21-32(36)40-31-23-28(16-17-30(25)31)38-20-10-19-35(2)24-27-14-9-15-29(22-27)39-33(37)34-18-8-4-7-13-26-11-5-3-6-12-26/h3,5-6,9,11-12,14-17,21-23H,4,7-8,10,13,18-20,24H2,1-2H3,(H,34,37)
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| InChIKey |
RIRAXUJPOGFDFJ-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