General Information of the Compound
| Compound ID |
CP0454509
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| Compound Name |
tert-butyl N-[(2S)-1-[[(2R)-2-methyl-1-(8-methylsulfonyloctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C33H49N3O6S
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| Molecular Weight |
615.837
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCS(C)(=O)=O
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| InChI |
InChI=1S/C33H49N3O6S/c1-32(2,3)42-31(39)35-28(24-26-18-12-10-13-19-26)29(37)36-33(4,25-27-20-14-11-15-21-27)30(38)34-22-16-8-6-7-9-17-23-43(5,40)41/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,34,38)(H,35,39)(H,36,37)/t28-,33+/m0/s1
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| InChIKey |
DJIGXGLFQIIGKP-QPQHGXMVSA-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