General Information of the Compound
| Compound ID |
CP0960906
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| Compound Name |
(E)-3-(2,6-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)-acrylic Acid
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| Structure |
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)c(/C=C/C(=O)O)c(F)c2)N1CC(C)(C)F
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| InChI |
InChI=1S/C25H25F3N2O2/c1-14-10-18-16-6-4-5-7-21(16)29-23(18)24(30(14)13-25(2,3)28)15-11-19(26)17(20(27)12-15)8-9-22(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1
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| InChIKey |
KDPDIUIZGINQFQ-BBNFHIFMSA-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