General Information of the Compound
| Compound ID |
CP0553000
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| Compound Name |
1-((2R,3S)-4-(cyclohexyl(3-(4-fluorophenyl)propyl)amino)-3-hydroxybutan-2-yl)-3-(3-(1-methyl-1H-tetrazol-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 |
C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(CCCc1ccc(F)cc1)C1CCCCC1
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| InChI |
InChI=1S/C28H38FN7O2/c1-20(30-28(38)31-24-10-6-9-22(18-24)27-32-33-34-35(27)2)26(37)19-36(25-11-4-3-5-12-25)17-7-8-21-13-15-23(29)16-14-21/h6,9-10,13-16,18,20,25-26,37H,3-5,7-8,11-12,17,19H2,1-2H3,(H2,30,31,38)/t20-,26+/m1/s1
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| InChIKey |
PNWLTYBLOADJOL-IBVKSMDESA-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