General Information of the Compound
| Compound ID |
CP0402544
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| Compound Name |
tert-butyl N-[(2S)-1-[[(2R)-2-methyl-1-[[9-(methylamino)-9-oxononyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C34H50N4O5
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| Molecular Weight |
594.797
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| Canonical SMILES |
CNC(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C34H50N4O5/c1-33(2,3)43-32(42)37-28(24-26-18-12-10-13-19-26)30(40)38-34(4,25-27-20-14-11-15-21-27)31(41)36-23-17-9-7-6-8-16-22-29(39)35-5/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,35,39)(H,36,41)(H,37,42)(H,38,40)/t28-,34+/m0/s1
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| InChIKey |
LECIIRWUMBVDIG-IPZQJPLYSA-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