General Information of the Compound
| Compound ID |
CP0968875
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| Compound Name |
(E)-3-(3,5-Difluoro-4-((5R)-4-(2-fluoro-2-methylpropyl)-1,2,3,3a,4,5,6,10c-octahydrocyclopenta[5,6]pyrido[3,4-b]indol-5-yl)phenyl)acrylic Acid
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| Structure |
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| Formula |
C27H27F3N2O2
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| Molecular Weight |
468.519
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| Canonical SMILES |
CC(C)(F)CN1C2CCCC2c2c([nH]c3ccccc23)[C@H]1c1c(F)cc(/C=C/C(=O)O)cc1F
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| InChI |
InChI=1S/C27H27F3N2O2/c1-27(2,30)14-32-21-9-5-7-17(21)23-16-6-3-4-8-20(16)31-25(23)26(32)24-18(28)12-15(13-19(24)29)10-11-22(33)34/h3-4,6,8,10-13,17,21,26,31H,5,7,9,14H2,1-2H3,(H,33,34)/b11-10+/t17?,21?,26-/m1/s1
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| InChIKey |
SJBOPDHPQHHVFX-ZXVUINKLSA-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