General Information of the Compound
| Compound ID |
CP0904281
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| Compound Name |
2-(3-Methyl-2-pentyl-benzoylamino)-indan-2-carboxylic acid
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| Structure |
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| Formula |
C23H27NO3
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| Molecular Weight |
365.473
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| Canonical SMILES |
CCCCCc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
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| InChI |
InChI=1S/C23H27NO3/c1-3-4-5-12-19-16(2)9-8-13-20(19)21(25)24-23(22(26)27)14-17-10-6-7-11-18(17)15-23/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
XTSVCKSIAZUPIW-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