General Information of the Compound
| Compound ID |
CP0453478
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| Compound Name |
((S)-1-{(R)-1-[2-(4-Carbamoylmethoxy-phenyl)-ethylcarbamoyl]-1-methyl-2-phenyl-ethylcarbamoyl}-2-phenyl-ethyl)-carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C34H42N4O6
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| Molecular Weight |
602.732
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCc1ccc(OCC(N)=O)cc1
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| InChI |
InChI=1S/C34H42N4O6/c1-33(2,3)44-32(42)37-28(21-25-11-7-5-8-12-25)30(40)38-34(4,22-26-13-9-6-10-14-26)31(41)36-20-19-24-15-17-27(18-16-24)43-23-29(35)39/h5-18,28H,19-23H2,1-4H3,(H2,35,39)(H,36,41)(H,37,42)(H,38,40)/t28-,34+/m0/s1
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| InChIKey |
KARJRQAEBOLVTM-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