General Information of the Compound
| Compound ID |
CP0105896
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| Compound Name |
[3-[[methyl-[5-(2-oxochromen-7-yl)oxypentyl]amino]methyl]phenyl] N-(5-phenylpentyl)carbamate
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| Structure |
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| Formula |
C34H40N2O5
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| Molecular Weight |
556.703
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| Canonical SMILES |
CN(CCCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
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| InChI |
InChI=1S/C34H40N2O5/c1-36(22-9-4-10-23-39-30-19-17-29-18-20-33(37)41-32(29)25-30)26-28-15-11-16-31(24-28)40-34(38)35-21-8-3-7-14-27-12-5-2-6-13-27/h2,5-6,11-13,15-20,24-25H,3-4,7-10,14,21-23,26H2,1H3,(H,35,38)
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| InChIKey |
QUCBXGWIZAVJDM-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