General Information of the Compound
| Compound ID |
CP0237998
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| Compound Name |
(2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-naphthamido)pentanoic acid
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| Structure |
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| Formula |
C33H35N3O5
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| Molecular Weight |
553.659
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| Canonical SMILES |
CC[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C33H35N3O5/c1-5-28(41-19-23-11-7-6-8-12-23)30(32(38)39)35-31(37)26-17-24-13-9-10-14-25(24)18-27(26)34-33(40)36-29-21(3)15-20(2)16-22(29)4/h6-18,28,30H,5,19H2,1-4H3,(H,35,37)(H,38,39)(H2,34,36,40)/t28-,30+/m1/s1
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| InChIKey |
BEYABHAZRRWMOS-DGPALRBDSA-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