General Information of the Compound
| Compound ID |
CP0313080
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| Compound Name |
(S)-3-butoxy-2-(3-(3-mesitylureido)-2-naphthamido)propanoic acid
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| Structure |
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| Formula |
C28H33N3O5
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| Molecular Weight |
491.588
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| Canonical SMILES |
CCCCOC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C28H33N3O5/c1-5-6-11-36-16-24(27(33)34)29-26(32)22-14-20-9-7-8-10-21(20)15-23(22)30-28(35)31-25-18(3)12-17(2)13-19(25)4/h7-10,12-15,24H,5-6,11,16H2,1-4H3,(H,29,32)(H,33,34)(H2,30,31,35)/t24-/m0/s1
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| InChIKey |
GQUSZXYYGWDYMM-DEOSSOPVSA-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