General Information of the Compound
| Compound ID |
CP0951811
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| Compound Name |
2-[2-(-1-Ethyl-but-1-enyl)-3-methyl-benzoylamino]-indan-2-carboxylic acid
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| Structure |
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| Formula |
C24H27NO3
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| Molecular Weight |
377.484
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| Canonical SMILES |
CC/C=C(/CC)c1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
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| InChI |
InChI=1S/C24H27NO3/c1-4-9-17(5-2)21-16(3)10-8-13-20(21)22(26)25-24(23(27)28)14-18-11-6-7-12-19(18)15-24/h6-13H,4-5,14-15H2,1-3H3,(H,25,26)(H,27,28)/b17-9-
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| InChIKey |
HYDZAARUIWGUGM-MFOYZWKCSA-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