General Information of the Compound
| Compound ID |
CP0392071
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| Compound Name |
4-[(E)-3-[1-(5-ethylthiophen-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-oxoprop-1-enyl]benzoic acid
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| Structure |
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| Formula |
C27H24N2O3S
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| Molecular Weight |
456.567
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| Canonical SMILES |
CCc1ccc(s1)C1N(CCc2c1[nH]c1ccccc21)C(=O)\C=C\c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H24N2O3S/c1-2-19-12-13-23(33-19)26-25-21(20-5-3-4-6-22(20)28-25)15-16-29(26)24(30)14-9-17-7-10-18(11-8-17)27(31)32/h3-14,26,28H,2,15-16H2,1H3,(H,31,32)/b14-9+
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| InChIKey |
JQONTTCKPCALMO-NTEUORMPSA-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