General Information of the Compound
| Compound ID |
CP0042425
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| Compound Name |
2-((R)-7-((R)-2-(4-fluorophenyl)-N-methylpropanamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
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| Structure |
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| Formula |
C24H25FN2O3
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| Molecular Weight |
408.473
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| Canonical SMILES |
C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H25FN2O3/c1-15(16-7-9-17(25)10-8-16)24(30)26(2)18-11-12-22-20(13-23(28)29)19-5-3-4-6-21(19)27(22)14-18/h3-10,15,18H,11-14H2,1-2H3,(H,28,29)/t15-,18-/m1/s1
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| InChIKey |
OJEQIOOQKHUSKG-CRAIPNDOSA-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