General Information of the Compound
| Compound ID |
CP0472747
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| Compound Name |
5-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]-2-phenylmethoxybenzamide
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| Structure |
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| Formula |
C32H29ClN2O4
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| Molecular Weight |
541.047
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| Canonical SMILES |
Clc1ccc(OCc2ccccc2)c(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
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| InChI |
InChI=1S/C32H29ClN2O4/c33-26-16-17-30(39-22-25-14-8-3-9-15-25)28(20-26)31(37)35-29(19-24-12-6-2-7-13-24)32(38)34-27(21-36)18-23-10-4-1-5-11-23/h1-17,20-21,27,29H,18-19,22H2,(H,34,38)(H,35,37)/t27-,29-/m0/s1
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| InChIKey |
BEGUUUREXLEBPQ-YTMVLYRLSA-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