General Information of the Compound
| Compound ID |
CP0570296
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| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-[4-(4-fluorophenoxy)phenyl]prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C31H38FN3O8
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| Molecular Weight |
599.656
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(Oc2ccc(F)cc2)cc1)C(C)C)C(=O)OCC
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| InChI |
InChI=1S/C31H38FN3O8/c1-5-41-28(38)18-16-25(31(40)42-6-2)34-30(39)29(20(3)4)35-27(37)19-33-26(36)17-9-21-7-12-23(13-8-21)43-24-14-10-22(32)11-15-24/h7-15,17,20,25,29H,5-6,16,18-19H2,1-4H3,(H,33,36)(H,34,39)(H,35,37)/b17-9+/t25-,29+/m1/s1
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| InChIKey |
PCWYGGAOOCPOKS-CPWGOLPVSA-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