General Information of the Compound
| Compound ID |
CP0944340
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| Compound Name |
(1R,3R)-2-(2-Fluoro-2-methylpropyl)-1-(6-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)pyridin-3-yl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C27H34F2N4O
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| Molecular Weight |
468.592
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)nc2)N1CC(C)(C)F
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| InChI |
InChI=1S/C27H34F2N4O/c1-18-12-22-21-6-4-5-7-23(21)31-25(22)26(33(18)17-27(2,3)29)20-8-9-24(30-14-20)34-11-10-32-15-19(13-28)16-32/h4-9,14,18-19,26,31H,10-13,15-17H2,1-3H3/t18-,26-/m1/s1
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| InChIKey |
HMBHYZQMMZFMAK-WXTAPIANSA-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