General Information of the Compound
| Compound ID |
CP0484874
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| Compound Name |
(2R)-2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-propoxyphenyl]methyl]-3-cyclohexylpropanoic acid
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| Structure |
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| Formula |
C37H49NO4
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| Molecular Weight |
571.802
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| Canonical SMILES |
CCCOc1ccc(C[C@@H](CC2CCCCC2)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C37H49NO4/c1-2-14-42-34-13-8-26(19-31(36(40)41)18-25-6-4-3-5-7-25)20-32(34)24-38-35(39)30-9-11-33(12-10-30)37-21-27-15-28(22-37)17-29(16-27)23-37/h8-13,20,25,27-29,31H,2-7,14-19,21-24H2,1H3,(H,38,39)(H,40,41)/t27?,28?,29?,31-,37?/m1/s1
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| InChIKey |
PNLONEWDPBDYQU-PNXYMTDXSA-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