General Information of the Compound
| Compound ID |
CP0369958
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| Compound Name |
1-(3-hydroxy-3-methyl-2-oxobutyl)-1-((4'-methoxybiphenyl-4-yl)methyl)-3-(1-(4-methylbenzyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C33H41N3O4
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| Molecular Weight |
543.708
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CN(CC(=O)C(C)(C)O)C(=O)NC2CCN(Cc3ccc(C)cc3)CC2)cc1
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| InChI |
InChI=1S/C33H41N3O4/c1-24-5-7-25(8-6-24)21-35-19-17-29(18-20-35)34-32(38)36(23-31(37)33(2,3)39)22-26-9-11-27(12-10-26)28-13-15-30(40-4)16-14-28/h5-16,29,39H,17-23H2,1-4H3,(H,34,38)
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| InChIKey |
ZGUUVRMNMNGPEG-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