General Information of the Compound
| Compound ID |
CP0396102
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| Compound Name |
diethyl (2R)-2-[[(2S)-3-phenyl-2-[[2-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]acetyl]amino]propanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C30H37N3O7
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| Molecular Weight |
551.64
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)OCC
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| InChI |
InChI=1S/C30H37N3O7/c1-3-39-27(35)16-15-24(30(38)40-4-2)33-29(37)25(17-20-11-7-5-8-12-20)32-26(34)19-31-28(36)23-18-22(23)21-13-9-6-10-14-21/h5-14,22-25H,3-4,15-19H2,1-2H3,(H,31,36)(H,32,34)(H,33,37)/t22-,23+,24+,25-/m0/s1
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| InChIKey |
NLYIYWBKIKQJDS-LIONHTAISA-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