General Information of the Compound
| Compound ID |
CP0452197
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| Compound Name |
2-[1-(4-Fluoro-2-hydroxybenzoyl)piperidin-4-ylidene]-N-{(3R)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}acetamide
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| Structure |
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| Formula |
C29H29F2N3O3
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| Molecular Weight |
505.565
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| Canonical SMILES |
Oc1cc(F)ccc1C(=O)N1CCC(CC1)=CC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
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| InChI |
InChI=1S/C29H29F2N3O3/c30-23-4-3-21-13-20(1-2-22(21)15-23)17-33-10-9-25(18-33)32-28(36)14-19-7-11-34(12-8-19)29(37)26-6-5-24(31)16-27(26)35/h1-6,13-16,25,35H,7-12,17-18H2,(H,32,36)/t25-/m1/s1
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| InChIKey |
CNRGFQVKYSOJGD-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