General Information of the Compound
| Compound ID |
CP0534925
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| Compound Name |
tert-butyl N-[(2S)-1-[[2-methyl-1-(nonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C33H49N3O4
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| Molecular Weight |
551.772
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| Canonical SMILES |
CCCCCCCCCNC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C33H49N3O4/c1-6-7-8-9-10-11-18-23-34-30(38)33(5,25-27-21-16-13-17-22-27)36-29(37)28(24-26-19-14-12-15-20-26)35-31(39)40-32(2,3)4/h12-17,19-22,28H,6-11,18,23-25H2,1-5H3,(H,34,38)(H,35,39)(H,36,37)/t28-,33?/m0/s1
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| InChIKey |
QGSSOBWAUWLWGY-YCIOTGQKSA-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