General Information of the Compound
| Compound ID |
CP0901631
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| Compound Name |
(1R,3R)-1-(2,6-difluoro-4-(2-(3-methylazetidin-1-yl)ethoxy)phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C28H34F3N3O
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| Molecular Weight |
485.594
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| Canonical SMILES |
CC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
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| InChI |
InChI=1S/C28H34F3N3O/c1-17-14-33(15-17)9-10-35-19-12-22(29)25(23(30)13-19)27-26-21(20-7-5-6-8-24(20)32-26)11-18(2)34(27)16-28(3,4)31/h5-8,12-13,17-18,27,32H,9-11,14-16H2,1-4H3/t18-,27-/m1/s1
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| InChIKey |
SZSVDSDJAHXIIN-DNOBIOAJSA-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