General Information of the Compound
| Compound ID |
CP0402330
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| Compound Name |
N-butyl-2-methyl-2-[4-[2-(4-phenyldiazenylphenoxy)ethyl]phenoxy]propanamide
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CCCCNC(=O)C(C)(C)Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1
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| InChI |
InChI=1S/C28H33N3O3/c1-4-5-20-29-27(32)28(2,3)34-26-15-11-22(12-16-26)19-21-33-25-17-13-24(14-18-25)31-30-23-9-7-6-8-10-23/h6-18H,4-5,19-21H2,1-3H3,(H,29,32)/b31-30+
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| InChIKey |
ZMCLBUHDJXZASC-NVQSTNCTSA-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