General Information of the Compound
| Compound ID |
CP0966645
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| Compound Name |
(1R,3R)-1-(2,6-Difluoro-4-(3-(fluoromethyl)azetidin-1-yl)phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1Hpyrido[3,4-b]indole
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| Structure |
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| Formula |
C26H29F4N3
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| Molecular Weight |
459.531
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC(CF)C3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C26H29F4N3/c1-15-8-19-18-6-4-5-7-22(18)31-24(19)25(33(15)14-26(2,3)30)23-20(28)9-17(10-21(23)29)32-12-16(11-27)13-32/h4-7,9-10,15-16,25,31H,8,11-14H2,1-3H3/t15-,25-/m1/s1
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| InChIKey |
PQLNPBZOUBHAHI-SGANQWHYSA-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