General Information of the Compound
| Compound ID |
CP0502729
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| Compound Name |
3-(4-((1-(4-tert-butylcyclohexyl)-3-(4-isopropylphenyl)ureido)methyl)benzamido)propanoic acid
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| Formula |
C31H43N3O4
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| Molecular Weight |
521.702
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)N(Cc2ccc(cc2)C(=O)NCCC(O)=O)[C@H]2CC[C@@H](CC2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C31H43N3O4/c1-21(2)23-10-14-26(15-11-23)33-30(38)34(27-16-12-25(13-17-27)31(3,4)5)20-22-6-8-24(9-7-22)29(37)32-19-18-28(35)36/h6-11,14-15,21,25,27H,12-13,16-20H2,1-5H3,(H,32,37)(H,33,38)(H,35,36)/t25-,27-
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| InChIKey |
NHESOSRPJQSKDJ-DUYHBEBVSA-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