General Information of the Compound
| Compound ID |
CP0562614
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| Compound Name |
diethyl (2R)-2-[[(2S)-3-methyl-2-[[2-[[(E)-3-(2-phenyl-1,3-oxazol-5-yl)prop-2-enoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C28H36N4O8
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| Molecular Weight |
556.616
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1cnc(o1)-c1ccccc1)C(C)C)C(=O)OCC
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| InChI |
InChI=1S/C28H36N4O8/c1-5-38-24(35)15-13-21(28(37)39-6-2)31-26(36)25(18(3)4)32-23(34)17-29-22(33)14-12-20-16-30-27(40-20)19-10-8-7-9-11-19/h7-12,14,16,18,21,25H,5-6,13,15,17H2,1-4H3,(H,29,33)(H,31,36)(H,32,34)/b14-12+/t21-,25+/m1/s1
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| InChIKey |
KISRPAQNBCBGNG-USDCPBCJSA-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