General Information of the Compound
| Compound ID |
CP0064689
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| Compound Name |
1-[(1R,3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxy-5-methylhexan-3-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
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| Structure |
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| Formula |
C28H38FN7O2
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| Molecular Weight |
523.657
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| Canonical SMILES |
CC(C)C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C28H38FN7O2/c1-19(2)14-25(31-28(38)30-24-8-4-7-22(16-24)27-32-33-34-35(27)3)17-26(37)36-13-5-6-21(18-36)15-20-9-11-23(29)12-10-20/h4,7-12,16,19,21,25-26,37H,5-6,13-15,17-18H2,1-3H3,(H2,30,31,38)/t21-,25+,26+/m0/s1
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| InChIKey |
LVNMVTRHDJLKCU-RMUDUWAUSA-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