General Information of the Compound
| Compound ID |
CP0371928
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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-ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C35H48FN7O2
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| Molecular Weight |
617.814
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| Canonical SMILES |
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC23CC4CC(CC(C4)C2)C3)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C35H48FN7O2/c1-4-24-15-29(33-39-40-41-42(33)3)17-31(16-24)38-34(45)37-23(2)32(44)21-43(11-5-6-25-7-9-30(36)10-8-25)22-35-18-26-12-27(19-35)14-28(13-26)20-35/h7-10,15-17,23,26-28,32,44H,4-6,11-14,18-22H2,1-3H3,(H2,37,38,45)/t23-,26?,27?,28?,32+,35?/m1/s1
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| InChIKey |
YHXDUUWKFOEDMD-AJCADDFISA-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