General Information of the Compound
| Compound ID |
CP0463377
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| Compound Name |
tert-butyl N-[(2S)-1-[[(2R)-1-[7-(methanesulfonamido)heptylamino]-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C32H48N4O6S
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| Molecular Weight |
616.825
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O
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| InChI |
InChI=1S/C32H48N4O6S/c1-31(2,3)42-30(39)35-27(23-25-17-11-9-12-18-25)28(37)36-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-6-8-16-22-34-43(5,40)41/h9-14,17-20,27,34H,6-8,15-16,21-24H2,1-5H3,(H,33,38)(H,35,39)(H,36,37)/t27-,32+/m0/s1
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| InChIKey |
LPUSYVHMGOIRQA-QVWWMRLHSA-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