General Information of the Compound
| Compound ID |
CP0378525
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| Compound Name |
1-((2R,3S)-3-hydroxy-4-(((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)(methyl)amino)butan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C23H31N7O3
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| Molecular Weight |
453.547
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| Canonical SMILES |
C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(C)[C@@H](C)[C@H](O)c1ccccc1
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| InChI |
InChI=1S/C23H31N7O3/c1-15(20(31)14-29(3)16(2)21(32)17-9-6-5-7-10-17)24-23(33)25-19-12-8-11-18(13-19)22-26-27-28-30(22)4/h5-13,15-16,20-21,31-32H,14H2,1-4H3,(H2,24,25,33)/t15-,16+,20+,21+/m1/s1
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| InChIKey |
BVVNIEMHJMWNCD-ALGWMNEGSA-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