General Information of the Compound
| Compound ID |
CP0391623
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| Compound Name |
(1R,12R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-16-(2-fluoro-2-methylpropyl)-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene
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| Structure |
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| Formula |
C30H35F4N3O
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| Molecular Weight |
529.622
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| Canonical SMILES |
CC(C)(F)CN1[C@@H]2CCC[C@]1(c1[nH]c3ccccc3c1C2)c1c(F)cc(OCCN2CC(CF)C2)cc1F
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| InChI |
InChI=1S/C30H35F4N3O/c1-29(2,34)18-37-20-6-5-9-30(37,28-23(12-20)22-7-3-4-8-26(22)35-28)27-24(32)13-21(14-25(27)33)38-11-10-36-16-19(15-31)17-36/h3-4,7-8,13-14,19-20,35H,5-6,9-12,15-18H2,1-2H3/t20-,30-/m1/s1
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| InChIKey |
VDZDUPAUPFNMQF-PRAQEBQASA-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