General Information of the Compound
| Compound ID |
CP0951254
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| Compound Name |
(1S,3R)-2-(2-Fluoro-2-methylpropyl)-1-(3-fluoro-5-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)pyridin-2-yl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C27H33F3N4O
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| Molecular Weight |
486.582
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ncc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C27H33F3N4O/c1-17-10-21-20-6-4-5-7-23(20)32-24(21)26(34(17)16-27(2,3)30)25-22(29)11-19(13-31-25)35-9-8-33-14-18(12-28)15-33/h4-7,11,13,17-18,26,32H,8-10,12,14-16H2,1-3H3/t17-,26+/m1/s1
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| InChIKey |
BJBNGGUCBQNSLU-QUGAMOGWSA-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