General Information of the Compound
| Compound ID |
CP0948398
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| Compound Name |
(1R,3R)-1-(2,6-difluoro-4-(1-(2-fluoroethyl)azetidin-3-yloxy)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 |
C27H31F4N3O
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| Molecular Weight |
489.557
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCF)C3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C27H31F4N3O/c1-16-10-20-19-6-4-5-7-23(19)32-25(20)26(34(16)15-27(2,3)31)24-21(29)11-17(12-22(24)30)35-18-13-33(14-18)9-8-28/h4-7,11-12,16,18,26,32H,8-10,13-15H2,1-3H3/t16-,26-/m1/s1
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| InChIKey |
WMVQBWDBJJRNKU-AKJBCIBTSA-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