General Information of the Compound
| Compound ID |
CP0513157
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| Compound Name |
(R)-2-(7-(2-(4-fluoro-2-(trifluoromethyl)phenyl)-N-methylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
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| Structure |
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| Formula |
C24H22F4N2O3
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| Molecular Weight |
462.443
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H22F4N2O3/c1-29(22(31)10-14-6-7-15(25)11-19(14)24(26,27)28)16-8-9-21-18(12-23(32)33)17-4-2-3-5-20(17)30(21)13-16/h2-7,11,16H,8-10,12-13H2,1H3,(H,32,33)/t16-/m1/s1
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| InChIKey |
ZEBMQGQRJGYTJJ-MRXNPFEDSA-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