General Information of the Compound
| Compound ID |
CP0384627
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| Compound Name |
1-Methoxy-4-phenylethynyl-naphthalene-2-carboxylic acid ((R)-1-benzyl-pyrrolidin-3-yl)-amide
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| Structure |
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| Formula |
C31H28N2O2
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| Molecular Weight |
460.577
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| Canonical SMILES |
COc1c(cc(C#Cc2ccccc2)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C31H28N2O2/c1-35-30-28-15-9-8-14-27(28)25(17-16-23-10-4-2-5-11-23)20-29(30)31(34)32-26-18-19-33(22-26)21-24-12-6-3-7-13-24/h2-15,20,26H,18-19,21-22H2,1H3,(H,32,34)/t26-/m1/s1
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| InChIKey |
DAUORZLLBDGUDH-AREMUKBSSA-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