General Information of the Compound
| Compound ID |
CP0208213
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| Compound Name |
N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-pyridin-4-ylacetamide
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| Structure |
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| Formula |
C28H23F6N3O2
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| Molecular Weight |
547.499
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| Canonical SMILES |
FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccncc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H23F6N3O2/c29-27(30,31)20-11-18(12-21(15-20)28(32,33)34)5-6-25(38)24(37-26(39)13-17-7-9-35-10-8-17)14-19-16-36-23-4-2-1-3-22(19)23/h1-4,7-12,15-16,24,36H,5-6,13-14H2,(H,37,39)/t24-/m0/s1
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| InChIKey |
RLYXXIQMNMOLJZ-DEOSSOPVSA-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