General Information of the Compound
| Compound ID |
CP0396907
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| Compound Name |
3-[4-[3-[4-[(4-nitrophenyl)diazenyl]phenoxy]propoxy]phenyl]-2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid
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| Formula |
C34H32N4O7
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| Molecular Weight |
608.651
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| Canonical SMILES |
C\C(NC(Cc1ccc(OCCCOc2ccc(cc2)\N=N\c2ccc(cc2)[N+]([O-])=O)cc1)C(O)=O)=C/C(=O)c1ccccc1
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| InChI |
InChI=1S/C34H32N4O7/c1-24(22-33(39)26-6-3-2-4-7-26)35-32(34(40)41)23-25-8-16-30(17-9-25)44-20-5-21-45-31-18-12-28(13-19-31)37-36-27-10-14-29(15-11-27)38(42)43/h2-4,6-19,22,32,35H,5,20-21,23H2,1H3,(H,40,41)/b24-22+,37-36+
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| InChIKey |
KQXVSKMGILMCIA-VLVCJLCASA-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