General Information of the Compound
| Compound ID |
CP0391062
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| Compound Name |
5-[(3R)-3-(3-fluoro-5-hydroxyphenoxy)pyrrolidin-1-yl]-5-methyl-2,2-diphenylhexanamide
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| Structure |
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| Formula |
C29H33FN2O3
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| Molecular Weight |
476.592
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| Canonical SMILES |
CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](C1)Oc1cc(O)cc(F)c1
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| InChI |
InChI=1S/C29H33FN2O3/c1-28(2,32-16-13-25(20-32)35-26-18-23(30)17-24(33)19-26)14-15-29(27(31)34,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-19,25,33H,13-16,20H2,1-2H3,(H2,31,34)/t25-/m1/s1
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| InChIKey |
HQOWLVGGFHIDSX-RUZDIDTESA-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