General Information of the Compound
| Compound ID |
CP0513662
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| Compound Name |
1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-((2R,3S)-3-hydroxy-4-(((1S,2S)-1-hydroxy-1-phenylpropan-2-yl)(methyl)amino)butan-2-yl)urea
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| Structure |
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| Formula |
C25H35N7O3
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| Molecular Weight |
481.601
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| Canonical SMILES |
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(C)[C@@H](C)[C@@H](O)c2ccccc2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C25H35N7O3/c1-6-18-12-20(24-28-29-30-32(24)5)14-21(13-18)27-25(35)26-16(2)22(33)15-31(4)17(3)23(34)19-10-8-7-9-11-19/h7-14,16-17,22-23,33-34H,6,15H2,1-5H3,(H2,26,27,35)/t16-,17+,22+,23-/m1/s1
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| InChIKey |
IBXWXSQRMSFMKL-YHFSLCLQSA-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