General Information of the Compound
| Compound ID |
CP0442530
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| Compound Name |
(R)-2-chloro-6-(3-(1-(4-fluorophenyl)-2-methylpropan-2-ylamino)-2-hydroxypropoxy)benzonitrile
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| Structure |
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| Formula |
C20H22ClFN2O2
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| Molecular Weight |
376.859
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| Canonical SMILES |
CC(C)(Cc1ccc(F)cc1)NC[C@@H](O)COc1cccc(Cl)c1C#N
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| InChI |
InChI=1S/C20H22ClFN2O2/c1-20(2,10-14-6-8-15(22)9-7-14)24-12-16(25)13-26-19-5-3-4-18(21)17(19)11-23/h3-9,16,24-25H,10,12-13H2,1-2H3/t16-/m1/s1
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| InChIKey |
XGDMNCCSVPVYKI-MRXNPFEDSA-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