General Information of the Compound
| Compound ID |
CP0036443
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| Compound Name |
12-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl]-3-oxa-4-azatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),4,10,12-pentaene-5-carboxylic acid
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| Structure |
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| Formula |
C23H19NO7
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| Molecular Weight |
421.405
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| Canonical SMILES |
COC(=O)c1c(O)cccc1OC\C=C\c1ccc2CCc3c(noc3-c2c1)C(O)=O
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| InChI |
InChI=1S/C23H19NO7/c1-29-23(28)19-17(25)5-2-6-18(19)30-11-3-4-13-7-8-14-9-10-15-20(22(26)27)24-31-21(15)16(14)12-13/h2-8,12,25H,9-11H2,1H3,(H,26,27)/b4-3+
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| InChIKey |
MXDUYHDWIDZURW-ONEGZZNKSA-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