General Information of the Compound
| Compound ID |
CP0522352
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| Compound Name |
1-((2R,3S)-4-(ethyl((2S,3S)-4-(4-fluorophenyl)-3-hydroxybutan-2-yl)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 |
C25H34FN7O3
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| Molecular Weight |
499.591
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| Canonical SMILES |
CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](C)[C@@H](O)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C25H34FN7O3/c1-5-33(17(3)22(34)13-18-9-11-20(26)12-10-18)15-23(35)16(2)27-25(36)28-21-8-6-7-19(14-21)24-29-30-31-32(24)4/h6-12,14,16-17,22-23,34-35H,5,13,15H2,1-4H3,(H2,27,28,36)/t16-,17+,22+,23+/m1/s1
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| InChIKey |
IKILZXIIPZFUMD-IFOZNXLVSA-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