General Information of the Compound
| Compound ID |
CP0535482
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| Compound Name |
tert-butyl N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C23H29N3O5
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| Molecular Weight |
427.501
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C23H29N3O5/c1-23(2,3)31-22(30)26-19(14-15-7-5-4-6-8-15)21(29)25-18(20(24)28)13-16-9-11-17(27)12-10-16/h4-12,18-19,27H,13-14H2,1-3H3,(H2,24,28)(H,25,29)(H,26,30)/t18-,19-/m0/s1
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| InChIKey |
QLIBFARZELQMJF-OALUTQOASA-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