General Information of the Compound
| Compound ID |
CP0545971
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-methyl-3-(4-methylphenyl)urea
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| Structure |
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| Formula |
C30H37N7O
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| Molecular Weight |
511.674
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1N(C)C(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C30H37N7O/c1-20(2)18-37(19-21(3)4)27-16-13-23(25-9-7-8-10-26(25)29-32-34-35-33-29)17-28(27)36(6)30(38)31-24-14-11-22(5)12-15-24/h7-17,20-21H,18-19H2,1-6H3,(H,31,38)(H,32,33,34,35)
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| InChIKey |
ODLBIBMZAHIRHI-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