General Information of the Compound
| Compound ID |
CP0573392
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| Compound Name |
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]anilino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C23H28N2O3
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| Molecular Weight |
380.488
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(NC(=O)CCC(O)=O)cc1
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| InChI |
InChI=1S/C23H28N2O3/c1-17-3-2-15-25(17)16-14-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24-22(26)12-13-23(27)28/h4-11,17H,2-3,12-16H2,1H3,(H,24,26)(H,27,28)/t17-/m1/s1
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| InChIKey |
VTPFUUDSFBQYDB-QGZVFWFLSA-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