General Information of the Compound
| Compound ID |
CP0960345
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| Compound Name |
(1R,3R)-1-(2,6-Difluoro-4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-methyl-2-((3-methyloxetan-3-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C29H34F3N3O2
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| Molecular Weight |
513.604
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1(C)COC1
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| InChI |
InChI=1S/C29H34F3N3O2/c1-18-9-22-21-5-3-4-6-25(21)33-27(22)28(35(18)15-29(2)16-36-17-29)26-23(31)10-20(11-24(26)32)37-8-7-34-13-19(12-30)14-34/h3-6,10-11,18-19,28,33H,7-9,12-17H2,1-2H3/t18-,28-/m1/s1
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| InChIKey |
VFUSVPZBQWQXQH-KWMCUTETSA-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