General Information of the Compound
| Compound ID |
CP0038564
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| Compound Name |
3-isopropyl-1-((2'-methoxybiphenyl-4-yl)methyl)-1-(2-(1-(4-methylbenzyl)piperidin-4-yl)ethyl)urea
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| Structure |
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| Formula |
C33H43N3O2
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| Molecular Weight |
513.726
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| Canonical SMILES |
COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)C)cc1
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| InChI |
InChI=1S/C33H43N3O2/c1-25(2)34-33(37)36(24-29-13-15-30(16-14-29)31-7-5-6-8-32(31)38-4)22-19-27-17-20-35(21-18-27)23-28-11-9-26(3)10-12-28/h5-16,25,27H,17-24H2,1-4H3,(H,34,37)
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| InChIKey |
WFPGMTZAKWGIIW-UHFFFAOYSA-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