General Information of the Compound
| Compound ID |
CP0235352
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| Compound Name |
(2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-naphthamido)butanoic acid
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| Structure |
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| Formula |
C32H33N3O5
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| Molecular Weight |
539.632
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| Canonical SMILES |
C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C32H33N3O5/c1-19-14-20(2)28(21(3)15-19)35-32(39)33-27-17-25-13-9-8-12-24(25)16-26(27)30(36)34-29(31(37)38)22(4)40-18-23-10-6-5-7-11-23/h5-17,22,29H,18H2,1-4H3,(H,34,36)(H,37,38)(H2,33,35,39)/t22-,29+/m1/s1
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| InChIKey |
DYEXJFHQBKUQNA-MNNSJKJDSA-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