General Information of the Compound
| Compound ID |
CP0960883
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| Compound Name |
(E)-3-(3-Fluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-5-methoxyphenyl)-acrylic Acid
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| Structure |
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| Formula |
C26H28F2N2O3
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| Molecular Weight |
454.517
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| Canonical SMILES |
COc1cc(/C=C/C(=O)O)cc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F
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| InChI |
InChI=1S/C26H28F2N2O3/c1-15-11-18-17-7-5-6-8-20(17)29-24(18)25(30(15)14-26(2,3)28)23-19(27)12-16(9-10-22(31)32)13-21(23)33-4/h5-10,12-13,15,25,29H,11,14H2,1-4H3,(H,31,32)/b10-9+/t15-,25-/m1/s1
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| InChIKey |
FYFYLHAEUGEQBR-OCFXUSKDSA-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