General Information of the Compound
| Compound ID |
CP0469829
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| Compound Name |
(2S)-3-(4-phenylmethoxyphenyl)-2-[[(2S)-1-[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H42N4O6
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| Molecular Weight |
578.71
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C32H42N4O6/c1-2-3-11-26(34-29(37)25-12-7-18-33-25)31(39)36-19-8-13-28(36)30(38)35-27(32(40)41)20-22-14-16-24(17-15-22)42-21-23-9-5-4-6-10-23/h4-6,9-10,14-17,25-28,33H,2-3,7-8,11-13,18-21H2,1H3,(H,34,37)(H,35,38)(H,40,41)/t25-,26-,27-,28-/m0/s1
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| InChIKey |
ZNBXYCDBDQNLPY-LJWNLINESA-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