General Information of the Compound
| Compound ID |
CP0396104
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| Compound Name |
diethyl (2R)-2-[[(2S)-3-phenyl-2-[[2-[(6-phenyl-1H-indole-2-carbonyl)amino]acetyl]amino]propanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C35H38N4O7
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| Molecular Weight |
626.71
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc2ccc(cc2[nH]1)-c1ccccc1)C(=O)OCC
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| InChI |
InChI=1S/C35H38N4O7/c1-3-45-32(41)18-17-27(35(44)46-4-2)39-34(43)29(19-23-11-7-5-8-12-23)38-31(40)22-36-33(42)30-21-26-16-15-25(20-28(26)37-30)24-13-9-6-10-14-24/h5-16,20-21,27,29,37H,3-4,17-19,22H2,1-2H3,(H,36,42)(H,38,40)(H,39,43)/t27-,29+/m1/s1
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| InChIKey |
BNWFSWHFAJCBBZ-PXJZQJOASA-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