General Information of the Compound
| Compound ID |
CP0488459
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| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[2-(3,4-dimethoxyphenyl)cyclopropanecarbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C28H41N3O9
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| Molecular Weight |
563.648
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C1CC1c1ccc(OC)c(OC)c1)C(C)C)C(=O)OCC
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| InChI |
InChI=1S/C28H41N3O9/c1-7-39-24(33)12-10-20(28(36)40-8-2)30-27(35)25(16(3)4)31-23(32)15-29-26(34)19-14-18(19)17-9-11-21(37-5)22(13-17)38-6/h9,11,13,16,18-20,25H,7-8,10,12,14-15H2,1-6H3,(H,29,34)(H,30,35)(H,31,32)/t18?,19?,20-,25+/m1/s1
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| InChIKey |
ZKJWBNACBSBGAL-FBFJCBDHSA-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