General Information of the Compound
| Compound ID |
CP0081597
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| Compound Name |
(R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
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| Structure |
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| Formula |
C27H25FN2O4S
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| Molecular Weight |
492.572
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3ccc(cc3n2C1)-c1ccccc1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H25FN2O4S/c1-29(35(33,34)22-11-8-20(28)9-12-22)21-10-14-25-24(16-27(31)32)23-13-7-19(15-26(23)30(25)17-21)18-5-3-2-4-6-18/h2-9,11-13,15,21H,10,14,16-17H2,1H3,(H,31,32)/t21-/m1/s1
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| InChIKey |
LLOKGCTYZOPODZ-OAQYLSRUSA-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