General Information of the Compound
| Compound ID |
CP0510751
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| Compound Name |
1-((1R,2S)-3-{adamantan-1-ylmethyl-[3-(4-fluoro-phenyl)-propyl]-amino}-2-hydroxy-1-methyl-propyl)-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C33H44FN7O2
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| Molecular Weight |
589.76
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| Canonical SMILES |
C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(CCCc1ccc(F)cc1)CC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C33H44FN7O2/c1-22(35-32(43)36-29-7-3-6-27(16-29)31-37-38-39-40(31)2)30(42)20-41(12-4-5-23-8-10-28(34)11-9-23)21-33-17-24-13-25(18-33)15-26(14-24)19-33/h3,6-11,16,22,24-26,30,42H,4-5,12-15,17-21H2,1-2H3,(H2,35,36,43)/t22-,24?,25?,26?,30+,33?/m1/s1
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| InChIKey |
DFTSMKPUBOXVKF-UENLDKMFSA-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