General Information of the Compound
| Compound ID |
CP0525807
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| Compound Name |
(2S)-2-amino-4-[4-[(4-fluorophenyl)methyl-[[4-(2-methylpropoxy)phenyl]methylcarbamoyl]amino]piperidin-1-yl]-4-oxobutanoic acid
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| Structure |
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| Formula |
C28H37FN4O5
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| Molecular Weight |
528.625
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CC2)C(=O)C[C@H](N)C(O)=O)cc1
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| InChI |
InChI=1S/C28H37FN4O5/c1-19(2)18-38-24-9-5-20(6-10-24)16-31-28(37)33(17-21-3-7-22(29)8-4-21)23-11-13-32(14-12-23)26(34)15-25(30)27(35)36/h3-10,19,23,25H,11-18,30H2,1-2H3,(H,31,37)(H,35,36)/t25-/m0/s1
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| InChIKey |
VENAEGAXPLJVLB-VWLOTQADSA-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