General Information of the Compound
| Compound ID |
CP0053453
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| Compound Name |
(R)-2-(7-(4-ethyl-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
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| Structure |
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| Formula |
C23H26N2O4S
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| Molecular Weight |
426.538
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1
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| InChI |
InChI=1S/C23H26N2O4S/c1-3-16-8-11-18(12-9-16)30(28,29)24(2)17-10-13-22-20(14-23(26)27)19-6-4-5-7-21(19)25(22)15-17/h4-9,11-12,17H,3,10,13-15H2,1-2H3,(H,26,27)/t17-/m1/s1
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| InChIKey |
FYKLNMNGLAUVLV-QGZVFWFLSA-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